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WEISS-lab Mitochondrial Metabolism & Cellular Senescence
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2026

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Synergistic Roles of FAHD-1 and PYC-1 in Mitochondrial Function, Behavior, and Longevity in C. elegans

Giaquinta, Riccardo; Andric, Andreas; Scheppach, Matthias; Weiss, Alexander K.H.

Advanced Biologyvolume 10(1)pp. e00410
DOI PubMed
Show BibTeX 
@article{CitekeyArticle,author='Giaquinta, Riccardo; Andric, Andreas; Scheppach, Matthias; Weiss, Alexander K.H.',title='Synergistic Roles of FAHD-1 and PYC-1 in Mitochondrial Function, Behavior, and Longevity in C. elegans',journal='Advanced Biology',year='2026',volume='10',number='1',pages='e00410',doi='10.1002/adbi.202500410',pmid='41424331'}

2025

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Catalytic activity of FAHD1 correlates with nuclear morphology and proteomic states in human osteosarcoma cells

Pfarl, Andreas S; Heberle, Anne; Weiss, AKH

Scientific Reportsvolume 15(1)pp. 45338
DOI PubMed
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@article{CitekeyArticle,author='Pfarl, Andreas S; Heberle, Anne; Weiss, AKH',title='Catalytic activity of FAHD1 correlates with nuclear morphology and proteomic states in human osteosarcoma cells',journal='Scientific Reports',year='2025',volume='15',number='1',pages='45338',doi='10.1038/s41598-025-29460-x',pmid='41286267'}

A hypothetical link between FAHD1 and mitochondrial resilience?

Wilhelmy, Konstantin A.; Rytchenko, Yana; Weiss, Alexander K.H.

Gene Reportsvolume 41pp. 102343
DOI
Show BibTeX 
@article{CitekeyArticle,author='Wilhelmy, Konstantin A.; Rytchenko, Yana; Weiss, Alexander K.H.',title='A hypothetical link between FAHD1 and mitochondrial resilience?',journal='Gene Reports',year='2025',volume='41',number='',pages='102343',doi='10.1016/j.genrep.2025.102343',pmid=''}

Field efficacy of a bioherbicide mimic (DiS-NH2) in a nanoparticle formulation for weed control in durum wheat.

Scavo, Aurelio; Rodríguez-Mejías, Francisco J.; Chinchilla, Nuria; Molinillo, José MG; Schwaiger, Stefan; Weiss, Alexander K.H.; Mauromicale, Giovanni; Macías, Francisco A

Pest Management Sciencevolume 81(7)pp. 3796-3810
DOI PubMed
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@article{CitekeyArticle,author='Scavo, Aurelio; Rodríguez-Mejías, Francisco J.; Chinchilla, Nuria; Molinillo, José MG; Schwaiger, Stefan; Weiss, Alexander K.H.; Mauromicale, Giovanni; Macías, Francisco A',title='Field efficacy of a bioherbicide mimic (DiS-NH2) in a nanoparticle formulation for weed control in durum wheat.',journal='Pest Management Science',year='2025',volume='81',number='7',pages='3796-3810',doi='10.1002/ps.8749',pmid='40040297'}

Microtubule inhibition as a proposed mechanism for the anthelmintic effect of phytochemicals isolated from Cicerbita alpina.

Horgan, Mark James; Sigg, Ines; Poulopoulou, Ioanna; Rodriguez-Mejias, Francisco J.; Albertini, Eva; Fusani, Pietro; Fischer, Florian; Martinidou,Eftychia; Schuster, Daniela; Martens, Stefan; Jansen Dürr, Pidder; Gauly. Matthias; Stuppner, Hermann; Weiss, Alexander K.H.; Temml, Veronika; Siewert, Bianka

Nature Scientific Reportsvolume 15(1)pp. 4108
DOI PubMed
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@article{CitekeyArticle,author='Horgan, Mark James; Sigg, Ines; Poulopoulou, Ioanna; Rodriguez-Mejias, Francisco J.; Albertini, Eva; Fusani, Pietro; Fischer, Florian; Martinidou,Eftychia; Schuster, Daniela; Martens, Stefan; Jansen Dürr, Pidder; Gauly. Matthias; Stuppner, Hermann; Weiss, Alexander K.H.; Temml, Veronika; Siewert, Bianka',title='Microtubule inhibition as a proposed mechanism for the anthelmintic effect of phytochemicals isolated from Cicerbita alpina.',journal='Nature Scientific Reports',year='2025',volume='15',number='1',pages='4108',doi='10.1038/s41598-024-73958-9',pmid='39900941'}

Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy

Gamper, J.; Gallmetzer, J.M.; Listyarini, R.V.; Weiss, A.K.H.; Hofer, T.S.

J Chem Theory Comput.
DOI
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@article{CitekeyArticle,author='Gamper, J.; Gallmetzer, J.M.; Listyarini, R.V.; Weiss, A.K.H.; Hofer, T.S.',title='Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy',journal='J Chem Theory Comput.',year='2025',volume='',number='',pages='',doi='10.1021/acs.jctc.4c01580',pmid=''}

The interplay of NAD and hypoxic stress and its relevance for ageing

Burtscher, J.; Denti, V.; Gostner, J. M.; Weiss, A. K.; Strasser, B.; Hüfner, K.; Burtscher, M.; Paglia, G.; Kopp, M.; Dünnwald, T.

Ageing Research Reviewsvolume 104(102646)
DOI
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@article{CitekeyArticle,author='Burtscher, J.; Denti, V.; Gostner, J. M.; Weiss, A. K.; Strasser, B.; Hüfner, K.; Burtscher, M.; Paglia, G.; Kopp, M.; Dünnwald, T.',title='The interplay of NAD and hypoxic stress and its relevance for ageing',journal='Ageing Research Reviews',year='2025',volume='104',number='102646',pages='',doi='10.1016/j.arr.2024.102646',pmid=''}

2024

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FAHD1 and mitochondrial metabolism: A decade of pioneering discoveries

Cappuccio, Elia; Holzknecht, Max ; Petit, Michèle ; Heberle, Anne ; Rytchenko, Yana; Seretis, Athanasios; Pierri, Ciro L.; Gstach, Hubert; Jansen-Dürr, Pidder; Weiss, Alexander K. H.

DOI
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@article{CitekeyArticle,author='Cappuccio, Elia; Holzknecht, Max ; Petit, Michèle ; Heberle, Anne ; Rytchenko, Yana; Seretis, Athanasios; Pierri, Ciro L.; Gstach, Hubert; Jansen-Dürr, Pidder; Weiss, Alexander K. H.',title='FAHD1 and mitochondrial metabolism: A decade of pioneering discoveries',journal='',year='2024',volume='',number='',pages='',doi='10.1111/febs.17345',pmid=''}

A multi-domain snail metallothionein increases cadmium resistance and fitness in Caenorhabditis elegans

Andric, Andreas; Niederwanger, Michael; Albertini, Eva; Jansen-Dürr, Pidder; Stürzenbaum, Stephen R.; Dallinger, Reinhgard; Pedrini-Martha, Veronika; Weiss, Alexander K. H.

Scientific Reportsvolume 14(25589)
DOI
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@article{CitekeyArticle,author='Andric, Andreas; Niederwanger, Michael; Albertini, Eva; Jansen-Dürr, Pidder; Stürzenbaum, Stephen R.; Dallinger, Reinhgard; Pedrini-Martha, Veronika; Weiss, Alexander K. H.',title='A multi-domain snail metallothionein increases cadmium resistance and fitness in Caenorhabditis elegans',journal='Scientific Reports',year='2024',volume='14',number='25589',pages='',doi='10.1038/s41598-024-76268-2',pmid=''}

Iron(III)-salophene catalyzes redox cycles that induce phospholipid peroxidation and deplete cancer cells of ferroptosis-protecting cofactors

Su, Fengting; Descher, Hubert; Bui-Hoang, Minh; Stuppner, Hermann; Skvortsova, Ira; Bonyadi Rad, Ehsan; Ascher, Claudia; Weiss, Alexander K. H.; Rao, Zhigang; Hohloch, Stephan; Koeberle, Solveigh C.; Gust, Ronald; Koeberle, Andreas

Redox Biologyvolume 75(9)pp. 103257
DOI PubMed
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@article{CitekeyArticle,author='Su, Fengting; Descher, Hubert; Bui-Hoang, Minh; Stuppner, Hermann; Skvortsova, Ira; Bonyadi Rad, Ehsan; Ascher, Claudia; Weiss, Alexander K. H.; Rao, Zhigang; Hohloch, Stephan; Koeberle, Solveigh C.; Gust, Ronald; Koeberle, Andreas',title='Iron(III)-salophene catalyzes redox cycles that induce phospholipid peroxidation and deplete cancer cells of ferroptosis-protecting cofactors',journal='Redox Biology',year='2024',volume='75',number='9',pages='103257',doi='10.1016/j.redox.2024.103257',pmid='38955113'}

Mitochondrial enzyme FAHD1 reduces ROS in osteosarcoma

Heberle, Anne; Cappuccio, Elia; Andric, Andreas; Kuen, Tatjana; Simonini, Anna; Weiss Alexander K. H.

Nature Scientific Reportsvolume 14(9231)
DOI PubMed
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@article{CitekeyArticle,author='Heberle, Anne; Cappuccio, Elia; Andric, Andreas; Kuen, Tatjana; Simonini, Anna; Weiss Alexander K. H.',title='Mitochondrial enzyme FAHD1 reduces ROS in osteosarcoma',journal='Nature Scientific Reports',year='2024',volume='14',number='9231',pages='',doi='10.1038/s41598-024-60012-x',pmid='38649439'}

A General Strategy for Improving the Performance of PINNs -- Analytical Gradients and Advanced Optimizers in the NeuralSchrödinger Framework

Gamper, Jakob; Gallmetzer, Hans Georg; Weiss, Alexander; Hofer, Thomas

Artificial Intelligence Chemistryvolume 2(4)pp. 100047
DOI
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@article{CitekeyArticle,author='Gamper, Jakob; Gallmetzer, Hans Georg; Weiss, Alexander; Hofer, Thomas',title='A General Strategy for Improving the Performance of PINNs -- Analytical Gradients and Advanced Optimizers in the NeuralSchrödinger Framework',journal='Artificial Intelligence Chemistry',year='2024',volume='2',number='4',pages='100047',doi='10.1016/j.aichem.2024.100047',pmid=''}

2023

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Accessing Position Space Wave Functions in Band Structure Calculations of Periodic Systems ─ A Generalized, Adapted Numerov Implementation for One-, Two-, and Three-Dimensional Quantum Problems

Gamper, Jakob; Kluibenschedl, Florian; Weiss, Alexander; Hofer, Thomas

The Journal of Physical Chemistry Lettersvolume 14(33)pp. 7395-7403
DOI
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@article{CitekeyArticle,author='Gamper, Jakob; Kluibenschedl, Florian; Weiss, Alexander; Hofer, Thomas',title='Accessing Position Space Wave Functions in Band Structure Calculations of Periodic Systems ─ A Generalized, Adapted Numerov Implementation for One-, Two-, and Three-Dimensional Quantum Problems',journal='The Journal of Physical Chemistry Letters',year='2023',volume='14',number='33',pages='7395-7403',doi='10.1021/acs.jpclett.3c01707',pmid=''}

SARS-CoV-2 3CL pro mutations selected in a VSV-based system confer resistance to nirmatrelvir, ensitrelvir, and GC376

Heilmann, Emmanuel; Costacurta, Francesco; Moghadasi, Seyed Arad; Ye, Chengjin; Pavan, Matteo; Bassani, Davide; Volland, Andre; Ascher, Claudia; Weiss, Alexander Kurt Hermann; Bante, David; Harris, Reuben S.; Moro, Stefano; Rupp, Bernhard; Martinez-Sobrido, Luis; von Laer, Dorothee

Science Translational Medicinevolume 15(678)
DOI
Show BibTeX 
@article{CitekeyArticle,author='Heilmann, Emmanuel; Costacurta, Francesco; Moghadasi, Seyed Arad; Ye, Chengjin; Pavan, Matteo; Bassani, Davide; Volland, Andre; Ascher, Claudia; Weiss, Alexander Kurt Hermann; Bante, David; Harris, Reuben S.; Moro, Stefano; Rupp, Bernhard; Martinez-Sobrido, Luis; von Laer, Dorothee',title='SARS-CoV-2 3CL pro mutations selected in a VSV-based system confer resistance to nirmatrelvir, ensitrelvir, and GC376',journal='Science Translational Medicine',year='2023',volume='15',number='678',pages='',doi='10.1126/scitranslmed.abq7360',pmid=''}

2022

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The circadian transcription factor ARNTL2 is regulated by weight-loss interventions in human white adipose tissue and inhibits adipogenesis.

Mandl, Markus; Viertler, Hans P; Zopoglou, Maria; Mitterberger-Vogt, Maria C; Gasser, Juliane; Hatzmann, Florian M; Rauchenwald, Tina; Zwierzina, Marit E; Mattesich, Monika; Weiss, Alexander K H; Mottes, Lorenza; Brucker, Camille; Waldegger, Petra; Pierer, Gerhard; Zwerschke, Werner

Cell death discoveryvolume 8(1)pp. 443
DOI PubMed
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@article{CitekeyArticle,author='Mandl, Markus; Viertler, Hans P; Zopoglou, Maria; Mitterberger-Vogt, Maria C; Gasser, Juliane; Hatzmann, Florian M; Rauchenwald, Tina; Zwierzina, Marit E; Mattesich, Monika; Weiss, Alexander K H; Mottes, Lorenza; Brucker, Camille; Waldegger, Petra; Pierer, Gerhard; Zwerschke, Werner',title='The circadian transcription factor ARNTL2 is regulated by weight-loss interventions in human white adipose tissue and inhibits adipogenesis.',journal='Cell death discovery',year='2022',volume='8',number='1',pages='443',doi='10.1038/s41420-022-01239-3',pmid='36329012'}

From Vibrational Spectroscopy and Quantum Tunneling to Periodic Band Structures - a Self-Supervised, All-Purpose Neural Network Approach to General Quantum Problems

Gamper, Jakob; Kluibenschedl, Florian; Weiss, Alexander; Hofer, Thomas

Physical Chemistry Chemical Physicsvolume 24(41)pp. 25191-2520
DOI
Show BibTeX 
@article{CitekeyArticle,author='Gamper, Jakob; Kluibenschedl, Florian; Weiss, Alexander; Hofer, Thomas',title='From Vibrational Spectroscopy and Quantum Tunneling to Periodic Band Structures - a Self-Supervised, All-Purpose Neural Network Approach to General Quantum Problems',journal='Physical Chemistry Chemical Physics',year='2022',volume='24',number='41',pages='25191-2520',doi='10.1039/D2CP03921D',pmid=''}

The mitochondrial enzyme FAHD1 regulates complex II activity in breast cancer cells and is indispensable for basal BT-20 cells in vitro

Holzknecht, Max; Guerrero-Navarro, Lena; Petit, Michele; Albertini, Eva; Damisch, Elisabeth; Simonini, Anna; Schmitt, Fernando; Parson, Walther; Fiegl, Heidelinde; Weiss, Alexander; Jansen-Dürr, Pidder

FEBS Lettersvolume 596(21)pp. 2781-2794
DOI
Show BibTeX 
@article{CitekeyArticle,author='Holzknecht, Max; Guerrero-Navarro, Lena; Petit, Michele; Albertini, Eva; Damisch, Elisabeth; Simonini, Anna; Schmitt, Fernando; Parson, Walther; Fiegl, Heidelinde; Weiss, Alexander; Jansen-Dürr, Pidder',title='The mitochondrial enzyme FAHD1 regulates complex II activity in breast cancer cells and is indispensable for basal BT-20 cells in vitro',journal='FEBS Letters',year='2022',volume='596',number='21',pages='2781-2794',doi='10.1002/1873-3468.14462',pmid=''}

Extraction and Purification of FAHD1 Protein from Swine Kidney and Mouse Liver

Andric, Andreas; Wagner, Eva; Heberle, Anne; Holzknecht, Max; Weiss, Alexander K. H.

Journal of Visualized Experimentsissue 180
DOI
Show BibTeX 
@article{CitekeyArticle,author='Andric, Andreas; Wagner, Eva; Heberle, Anne; Holzknecht, Max; Weiss, Alexander K. H.',title='Extraction and Purification of FAHD1 Protein from Swine Kidney and Mouse Liver',journal='Journal of Visualized Experiments',year='2022',volume='',number='180',pages='',doi='10.3791/63333',pmid=''}

2021

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Inhibitors of Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1).

Weiss, Alexander K H; Wurzer, Richard; Klapec, Patrycia; Eder, Manuel Philip; Löffler, Johannes R; von Grafenstein, Susanne; Monteleone, Stefania; Liedl, Klaus R; Jansen-Dürr, Pidder; Gstach, Hubert

Moleculesvolume 26(16)
DOI PubMed
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@article{CitekeyArticle,author='Weiss, Alexander K H; Wurzer, Richard; Klapec, Patrycia; Eder, Manuel Philip; Löffler, Johannes R; von Grafenstein, Susanne; Monteleone, Stefania; Liedl, Klaus R; Jansen-Dürr, Pidder; Gstach, Hubert',title='Inhibitors of Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1).',journal='Molecules',year='2021',volume='26',number='16',pages='',doi='10.3390/molecules26165009',pmid='34443596'}

AtFAHD1a: A New Player Influencing Seed Longevity and Dormancy in Arabidopsis?

Gerna, Davide; Arc, Erwann; Holzknecht, Max; Roach, Thomas; Jansen-Dürr, Pidder; Weiss, Alexander K H; Kranner, Ilse

International Journal of Molecular Sciencesvolume 22(6)pp. 2997
DOI PubMed
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@article{CitekeyArticle,author='Gerna, Davide; Arc, Erwann; Holzknecht, Max; Roach, Thomas; Jansen-Dürr, Pidder; Weiss, Alexander K H; Kranner, Ilse',title='AtFAHD1a: A New Player Influencing Seed Longevity and Dormancy in Arabidopsis?',journal='International Journal of Molecular Sciences',year='2021',volume='22',number='6',pages='2997',doi='10.3390/ijms22062997',pmid='33804275'}

2020

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Regulation of cellular senescence by eukaryotic members of the FAH superfamily - A role in calcium homeostasis?

Weiss, Alexander K.H.; Albertini, Eva; Holzknecht, Max; Cappuccio, Elia; Dorigatti, Ilaria; Krahbichler, Anna; Damisch, Elisabeth; Gstach, Hubert; Jansen-Dürr, Pidder

Mechanisms of Ageing and Developmentvolume 190pp. 111284
DOI
Show BibTeX 
@article{CitekeyArticle,author='Weiss, Alexander K.H.; Albertini, Eva; Holzknecht, Max; Cappuccio, Elia; Dorigatti, Ilaria; Krahbichler, Anna; Damisch, Elisabeth; Gstach, Hubert; Jansen-Dürr, Pidder',title='Regulation of cellular senescence by eukaryotic members of the FAH superfamily - A role in calcium homeostasis?',journal='Mechanisms of Ageing and Development',year='2020',volume='190',number='',pages='111284',doi='10.1016/j.mad.2020.111284',pmid=''}

Structural and functional comparison of fumarylacetoacetate domain containing protein 1 in human and mouse.

Weiss, Alexander K H; Naschberger, Andreas; Cappuccio, Elia; Metzger, Christina; Mottes, Lorenza; Holzknecht, Max; von Velsen, Jill; Bowler, Matthew W.; Rupp, Bernhard; Jansen-Dürr, Pidder

Bioscience reportsvolume 40(3)
DOI PubMed
Show BibTeX 
@article{CitekeyArticle,author='Weiss, Alexander K H; Naschberger, Andreas; Cappuccio, Elia; Metzger, Christina; Mottes, Lorenza; Holzknecht, Max; von Velsen, Jill; Bowler, Matthew W.; Rupp, Bernhard; Jansen-Dürr, Pidder',title='Structural and functional comparison of fumarylacetoacetate domain containing protein 1 in human and mouse.',journal='Bioscience reports',year='2020',volume='40',number='3',pages='',doi='10.1042/BSR20194431',pmid='32068790'}

2019

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Expression, Purification, Crystallization, and Enzyme Assays of Fumarylacetoacetate Hydrolase Domain-Containing Proteins

Weiss, Alexander K. H.; Holzknecht, Max; Cappuccio, Elia; Dorigatti, Ilaria; Kreidl, Karin; Naschberger, Andreas; Rupp, Bernhard; Gstach, Hubert; Jansen-Dürr, Pidder

Journal of Visualized Experimentsissue 148
DOI
Show BibTeX 
@article{CitekeyArticle,author='Weiss, Alexander K. H.; Holzknecht, Max; Cappuccio, Elia; Dorigatti, Ilaria; Kreidl, Karin; Naschberger, Andreas; Rupp, Bernhard; Gstach, Hubert; Jansen-Dürr, Pidder',title='Expression, Purification, Crystallization, and Enzyme Assays of Fumarylacetoacetate Hydrolase Domain-Containing Proteins',journal='Journal of Visualized Experiments',year='2019',volume='',number='148',pages='',doi='10.3791/59729',pmid=''}

Modulation of serotonin signaling by the putative oxaloacetate decarboxylase FAHD-1 in Caenorhabditis elegans

Baraldo, Giorgia; Etemad, Solmaz; Weiss, Alexander K. H.; Jansen-Dürr, Pidder; Mack, Hildegard I. D.

PLOS ONEvolume 14(8)pp. e0220434
DOI
Show BibTeX 
@article{CitekeyArticle,author='Baraldo, Giorgia; Etemad, Solmaz; Weiss, Alexander K. H.; Jansen-Dürr, Pidder; Mack, Hildegard I. D.',title='Modulation of serotonin signaling by the putative oxaloacetate decarboxylase FAHD-1 in Caenorhabditis elegans',journal='PLOS ONE',year='2019',volume='14',number='8',pages='e0220434',doi='10.1371/journal.pone.0220434',pmid=''}

Oxaloacetate decarboxylase FAHD1 - a new regulator of mitochondrial function and senescence

Etemad, Solmaz; Petit, Michele; Weiss, Alexander K.H.; Schrattenholz, Andre; Baraldo, Giorgia; Jansen-Dürr, Pidder

Mechanisms of Ageing and Developmentvolume 177pp. 22-29
DOI PubMed
Show BibTeX 
@article{CitekeyArticle,author='Etemad, Solmaz; Petit, Michele; Weiss, Alexander K.H.; Schrattenholz, Andre; Baraldo, Giorgia; Jansen-Dürr, Pidder',title='Oxaloacetate decarboxylase FAHD1 - a new regulator of mitochondrial function and senescence',journal='Mechanisms of Ageing and Development',year='2019',volume='177',number='',pages='22-29',doi='10.1016/j.mad.2018.07.007',pmid='30055189'}

2018

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Structural basis for the bi-functionality of human oxaloacetate decarboxylase FAHD1

Weiss, Alexander K.H.; Naschberger, Andreas; Löffler, Johannes R.; Gstach, Hubert; Bowler, Matthew W.; Holzknecht, Max; Cappuccio, Elia; Pittl, Annabella; Etemad, Solmaz; Dunzendorfer-Matt, Theresia; Scheffzek, Klaus; Liedl, Klaus R.; Jansen-Dürr, Pidder

Biochemical Journalvolume 475(22)pp. 3561-3576
DOI PubMed
Show BibTeX 
@article{CitekeyArticle,author='Weiss, Alexander K.H.; Naschberger, Andreas; Löffler, Johannes R.; Gstach, Hubert; Bowler, Matthew W.; Holzknecht, Max; Cappuccio, Elia; Pittl, Annabella; Etemad, Solmaz; Dunzendorfer-Matt, Theresia; Scheffzek, Klaus; Liedl, Klaus R.; Jansen-Dürr, Pidder',title='Structural basis for the bi-functionality of human oxaloacetate decarboxylase FAHD1',journal='Biochemical Journal',year='2018',volume='475',number='22',pages='3561-3576',doi='10.1042/BCJ20180750',pmid='0264-6021'}

The fumarylacetoacetate hydrolase (FAH) superfamily of enzymes: multifunctional enzymes from microbes to mitochondria

Weiss, Alexander K.H. H; Löffler, Johannes R.; Liedl, Klaus R.; Gstach, Hubert; Jansen-Dürr, Pidder

Biochemical Society Transactionsvolume 46(2)pp. 295-309
DOI PubMed
Show BibTeX 
@article{CitekeyArticle,author='Weiss, Alexander K.H. H; Löffler, Johannes R.; Liedl, Klaus R.; Gstach, Hubert; Jansen-Dürr, Pidder',title='The fumarylacetoacetate hydrolase (FAH) superfamily of enzymes: multifunctional enzymes from microbes to mitochondria',journal='Biochemical Society Transactions',year='2018',volume='46',number='2',pages='295-309',doi='10.1042/BST20170518',pmid='29487229'}

2016

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The FAH Fold Meets the Krebs Cycle

Jansen-Dürr, Pidder; Pircher, Haymo; Weiss, Alexander K.H.

Molecular Enzymology and Drug Targetsvolume 02(01)pp. 1-5
DOI
Show BibTeX 
@article{CitekeyArticle,author='Jansen-Dürr, Pidder; Pircher, Haymo; Weiss, Alexander K.H.',title='The FAH Fold Meets the Krebs Cycle',journal='Molecular Enzymology and Drug Targets',year='2016',volume='02',number='01',pages='1-5',doi='10.21767/2572-5475.100e104',pmid=''}

2015

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A rigorous and optimized strategy for the evaluation of the Boys function kernel in molecular electronic structure theory

Weiss, Alexander K. H.; Ochsenfeld, Christian

Journal of Computational Chemistryvolume 36(18)pp. 1390-1398
DOI PubMed
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@article{CitekeyArticle,author='Weiss, Alexander K. H.; Ochsenfeld, Christian',title='A rigorous and optimized strategy for the evaluation of the Boys function kernel in molecular electronic structure theory',journal='Journal of Computational Chemistry',year='2015',volume='36',number='18',pages='1390-1398',doi='10.1002/jcc.23935',pmid='25974205'}

2014

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Ionized CO2 and SO2 in aqueous environment: Ab initio QMCF-MD studies

Moin, Syed Tarique; Weiss, Alexander K.H.; Rode, Bernd M.

Computational and Theoretical Chemistryvolume 1034pp. 85-93
DOI
Show BibTeX 
@article{CitekeyArticle,author='Moin, Syed Tarique; Weiss, Alexander K.H.; Rode, Bernd M.',title='Ionized CO2 and SO2 in aqueous environment: Ab initio QMCF-MD studies',journal='Computational and Theoretical Chemistry',year='2014',volume='1034',number='',pages='85-93',doi='10.1016/j.comptc.2014.02.006',pmid=''}

A dissociative quantum mechanical/molecular mechanical molecular dynamics simulation and infrared experiments reveal characteristics of the strongly hydrolytic arsenic(III).

Canaval, Lorenz R.; Lutz, Oliver M. D.; Weiss, Alexander K. H.; Huck, Christian W.; Hofer, Thomas S.

Inorganic Chemistryvolume 53(22)pp. 11861-70
DOI PubMed
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@article{CitekeyArticle,author='Canaval, Lorenz R.; Lutz, Oliver M. D.; Weiss, Alexander K. H.; Huck, Christian W.; Hofer, Thomas S.',title='A dissociative quantum mechanical/molecular mechanical molecular dynamics simulation and infrared experiments reveal characteristics of the strongly hydrolytic arsenic(III).',journal='Inorganic Chemistry',year='2014',volume='53',number='22',pages='11861-70',doi='10.1021/ic4031156',pmid='25157412'}

Structure and water exchange of the hydrated thiosulfate ion in aqueous solution using QMCF MD simulation and large angle X-ray scattering

Eklund, Lars; Hofer, Tomas S.; Weiss, Alexander K. H.; Tirler, Andreas O.; Persson, Ingmar

Dalton Transactionsvolume 43(33)pp. 12711-1272
DOI PubMed
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@article{CitekeyArticle,author='Eklund, Lars; Hofer, Tomas S.; Weiss, Alexander K. H.; Tirler, Andreas O.; Persson, Ingmar',title='Structure and water exchange of the hydrated thiosulfate ion in aqueous solution using QMCF MD simulation and large angle X-ray scattering',journal='Dalton Transactions',year='2014',volume='43',number='33',pages='12711-1272',doi='10.1039/C4DT01010H',pmid='25010434'}

Electronic structure and hydration of tetramine cobalt hydride complexes.

Bhattacharjee, Anirban; Weiss, Alexander K. H.; Artero, Vincent; Field, Martin J.; Hofer, Thomas S.

The Journal of Physical Chemistry Bvolume 118(20)pp. 5551-61
DOI PubMed
Show BibTeX 
@article{CitekeyArticle,author='Bhattacharjee, Anirban; Weiss, Alexander K. H.; Artero, Vincent; Field, Martin J.; Hofer, Thomas S.',title='Electronic structure and hydration of tetramine cobalt hydride complexes.',journal='The Journal of Physical Chemistry B',year='2014',volume='118',number='20',pages='5551-61',doi='10.1021/jp502651s',pmid='24823262'}

Ab initio quantum mechanical simulations confirm the formation of all postulated species in ionic dissociation.

Wiedemair, Martin J.; Weiss, Alexander K. H.; Rode, Bernd M.

Physical Chemistry Chemical Physicsvolume 16(16)pp. 7368-76
DOI PubMed
Show BibTeX 
@article{CitekeyArticle,author='Wiedemair, Martin J.; Weiss, Alexander K. H.; Rode, Bernd M.',title='Ab initio quantum mechanical simulations confirm the formation of all postulated species in ionic dissociation.',journal='Physical Chemistry Chemical Physics',year='2014',volume='16',number='16',pages='7368-76',doi='10.1039/c3cp54986k',pmid='24623175'}

2013

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Dynamics of ligand exchange mechanism at Cu(II) in water: An ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region

Moin, Syed Tarique; Hofer, Thomas S.; Weiss, Alexander K.H. H.; Rode, Bernd M.

Journal of Chemical Physicsvolume 139(1)pp. 014503
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@article{CitekeyArticle,author='Moin, Syed Tarique; Hofer, Thomas S.; Weiss, Alexander K.H. H.; Rode, Bernd M.',title='Dynamics of ligand exchange mechanism at Cu(II) in water: An ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region',journal='Journal of Chemical Physics',year='2013',volume='139',number='1',pages='014503',doi='10.1063/1.4811114',pmid='23822310'}

Solvation properties and behaviour of lutetium(III) in aqueous solution-A quantum mechanical charge field (QMCF) study

Hitzenberger, Manuel; Hofer, Thomas S.; Weiss, Alexander K.H.

Journal of Chemical Physicsvolume 139(11)pp. 114306
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@article{CitekeyArticle,author='Hitzenberger, Manuel; Hofer, Thomas S.; Weiss, Alexander K.H.',title='Solvation properties and behaviour of lutetium(III) in aqueous solution-A quantum mechanical charge field (QMCF) study',journal='Journal of Chemical Physics',year='2013',volume='139',number='11',pages='114306',doi='10.1063/1.4820879',pmid='24070289'}

A comparative quantum mechanical charge field study of uranyl mono- and dicarbonate species in aqueous solution.

Tirler, Andreas O.; Weiss, Alexander K. H.; Hofer, Thomas S.

The Journal of Physical Chemistry Bvolume 117(50)pp. 16174-87
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@article{CitekeyArticle,author='Tirler, Andreas O.; Weiss, Alexander K. H.; Hofer, Thomas S.',title='A comparative quantum mechanical charge field study of uranyl mono- and dicarbonate species in aqueous solution.',journal='The Journal of Physical Chemistry B',year='2013',volume='117',number='50',pages='16174-87',doi='10.1021/jp407179s',pmid='24256443'}

Structure and dynamics of the Th4+ ion in aqueous solution - An ab initio QMCF-MD study

Canaval, Lorenz R.; Weiss, Alexander K.H.; Rode, Bernd M.

Computational and Theoretical Chemistryvolume 1022pp. 94-102
DOI
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@article{CitekeyArticle,author='Canaval, Lorenz R.; Weiss, Alexander K.H.; Rode, Bernd M.',title='Structure and dynamics of the Th4+ ion in aqueous solution - An ab initio QMCF-MD study',journal='Computational and Theoretical Chemistry',year='2013',volume='1022',number='',pages='94-102',doi='10.1016/j.comptc.2013.08.020',pmid=''}

Exploiting the capabilities of quantum chemical simulations to characterise the hydration of molecular compounds

Weiss, Alexander K.H.; Hofer, Thomas S.

RSC Advancesvolume 3(6)pp. 1606-1635
DOI
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@article{CitekeyArticle,author='Weiss, Alexander K.H.; Hofer, Thomas S.',title='Exploiting the capabilities of quantum chemical simulations to characterise the hydration of molecular compounds',journal='RSC Advances',year='2013',volume='3',number='6',pages='1606-1635',doi='10.1039/c2ra21873a',pmid=''}

Comparison of NIR chemical imaging with conventional NIR, Raman and ATR-IR spectroscopy for quantification of furosemide crystal polymorphs in ternary powder mixtures

Schönbichler, S.A.; Bittner, L.K.H.; Weiss, A.K.H.; Griesser, U.J.; Pallua, J.D.; Huck, C.W.

European Journal of Pharmaceutics and Biopharmaceuticsvolume 84(3)pp. 616-625
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@article{CitekeyArticle,author='Schönbichler, S.A.; Bittner, L.K.H.; Weiss, A.K.H.; Griesser, U.J.; Pallua, J.D.; Huck, C.W.',title='Comparison of NIR chemical imaging with conventional NIR, Raman and ATR-IR spectroscopy for quantification of furosemide crystal polymorphs in ternary powder mixtures',journal='European Journal of Pharmaceutics and Biopharmaceutics',year='2013',volume='84',number='3',pages='616-625',doi='10.1016/j.ejpb.2013.01.006',pmid='23395969'}

Urea in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)

Weiss, Alexander K.H.; Hofer, Thomas S.

Molecular BioSystemsvolume 9(7)pp. 1864-1876
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@article{CitekeyArticle,author='Weiss, Alexander K.H.; Hofer, Thomas S.',title='Urea in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)',journal='Molecular BioSystems',year='2013',volume='9',number='7',pages='1864-1876',doi='10.1039/c3mb25522k',pmid='23636218'}

2012

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Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation (QMCF-MD) of Bi3+ in Water

Khan, Ajmal; Weiss, Alexander K. H.; Uddin, Reaz; Randolf, Bernhard R.; Rode, Bernd Michael; Hofer, Thomas S.

The Journal of Physical Chemistry Avolume 116(30)pp. 8008-8014
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@article{CitekeyArticle,author='Khan, Ajmal; Weiss, Alexander K. H.; Uddin, Reaz; Randolf, Bernhard R.; Rode, Bernd Michael; Hofer, Thomas S.',title='Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation (QMCF-MD) of Bi3+ in Water',journal='The Journal of Physical Chemistry A',year='2012',volume='116',number='30',pages='8008-8014',doi='10.1021/jp301569k',pmid='22747253'}

A QMCF-MD investigation of the structure and dynamics of Ce4+ in aqueous solution.

Lutz, Oliver M. D.; Hofer, Thomas S.; Randolf, Bernhard R.; Weiss, Alexander K. H.; Rode, Bernd M.

Inorganic Chemistryvolume 51(12)pp. 6746-52
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@article{CitekeyArticle,author='Lutz, Oliver M. D.; Hofer, Thomas S.; Randolf, Bernhard R.; Weiss, Alexander K. H.; Rode, Bernd M.',title='A QMCF-MD investigation of the structure and dynamics of Ce4+ in aqueous solution.',journal='Inorganic Chemistry',year='2012',volume='51',number='12',pages='6746-52',doi='10.1021/ic300385s',pmid='22651096'}

Guanidinium in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)

Weiss, Alexander K.H. H.; Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.

Physical Chemistry Chemical Physicsvolume 14(19)pp. 7012-7027
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@article{CitekeyArticle,author='Weiss, Alexander K.H. H.; Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.',title='Guanidinium in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)',journal='Physical Chemistry Chemical Physics',year='2012',volume='14',number='19',pages='7012-7027',doi='10.1039/c2cp23497a',pmid='22482114'}

2011

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Hydrogen bond formation of formamide and N-methylformamide in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD).

Weiss, Alexander K. H.; Hofer, Thomas S.; Randolf, Bernhard R.; Bhattacharjee, Anirban; Rode, Bernd M.

Physical Chemistry Chemical Physicsvolume 13(26)pp. 12173-85
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@article{CitekeyArticle,author='Weiss, Alexander K. H.; Hofer, Thomas S.; Randolf, Bernhard R.; Bhattacharjee, Anirban; Rode, Bernd M.',title='Hydrogen bond formation of formamide and N-methylformamide in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD).',journal='Physical Chemistry Chemical Physics',year='2011',volume='13',number='26',pages='12173-85',doi='10.1039/c1cp20669a',pmid='21647491'}

Hydration of highly charged ions.

Hofer, Thomas S.; Weiss, Alexander K H; Randolf, Bernhard R.; Rode, Bernd M.

Chemical physics lettersvolume 512(4-6)pp. 139-145
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@article{CitekeyArticle,author='Hofer, Thomas S.; Weiss, Alexander K H; Randolf, Bernhard R.; Rode, Bernd M.',title='Hydration of highly charged ions.',journal='Chemical physics letters',year='2011',volume='512',number='4-6',pages='139-145',doi='10.1016/j.cplett.2011.05.060',pmid='22298911'}

2010

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Structure and Dynamics of the Chromate Ion in Aqueous Solution. An ab Initio QMCF-MD Simulation.

Hinteregger, Ernst; Pribil, Andreas B.; Hofer, Thomas S.; Randolf, Bernhard R.; Weiss, Alexander K. H.; Rode, Bernd M.

Inorganic Chemistryvolume 49(17)pp. 7964
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@article{CitekeyArticle,author='Hinteregger, Ernst; Pribil, Andreas B.; Hofer, Thomas S.; Randolf, Bernhard R.; Weiss, Alexander K. H.; Rode, Bernd M.',title='Structure and Dynamics of the Chromate Ion in Aqueous Solution. An ab Initio QMCF-MD Simulation.',journal='Inorganic Chemistry',year='2010',volume='49',number='17',pages='7964',doi='10.1021/ic101001e',pmid='20704361'}

0

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X-ray structure of mus musculus Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) apo-form uncomplexed.

PDB:6SBJ

DOI
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@article{CitekeyArticle,author='PDB:6SBJ',title='X-ray structure of mus musculus Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) apo-form uncomplexed.',journal='',year='0',volume='',number='',pages='',doi='10.2210/pdb6SBJ/pdb',pmid=''}

X-ray structure of murine Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) in complex with inhibitor oxalate.

PDB:6SBI

DOI
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@article{CitekeyArticle,author='PDB:6SBI',title='X-ray structure of murine Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) in complex with inhibitor oxalate.',journal='',year='0',volume='',number='',pages='',doi='10.2210/pdb6SBI/pdb',pmid=''}

X-ray structure of homo sapiens Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) at 1.56A resolution.

PDB:6FOH

DOI
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@article{CitekeyArticle,author='PDB:6FOH',title='X-ray structure of homo sapiens Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) at 1.56A resolution.',journal='',year='0',volume='',number='',pages='',doi='10.2210/pdb6FOH/pdb',pmid=''}

X-ray structure of homo sapiens Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) in complex with inhibitor oxalate at 1.94A resolution.

PDB:6FOG

DOI
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@article{CitekeyArticle,author='PDB:6FOG',title='X-ray structure of homo sapiens Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) in complex with inhibitor oxalate at 1.94A resolution.',journal='',year='0',volume='',number='',pages='',doi='10.2210/pdb6FOG/pdb',pmid=''}