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 Reports, volume 14(25589)
doi: 10.1038/s41598-024-76268-2
-> show bibtex entry...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 Biology, volume 75(9)
doi: 10.1016/j.redox.2024.103257
PMID: 38955113
-> show bibtex entry...Mitochondrial enzyme FAHD1 reduces ROS in osteosarcoma
Heberle, Anne; Cappuccio, Elia; Andric, Andreas; Kuen, Tatjana; Simonini, Anna; Weiss Alexander K. H.
Nature Scientific Reports, volume 14(9231)
doi: https://doi.org/10.1038/s41598-024-60012-x
PMID: 38649439
-> show bibtex entry...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 Chemistry, volume 2(4)
doi: 10.1016/j.aichem.2024.100047
-> show bibtex entry...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 Letters, volume 14(33)
doi: 10.1021/acs.jpclett.3c01707
-> show bibtex entry...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 Medicine, volume 15(678)
doi: 10.1126/scitranslmed.abq7360
-> show bibtex entry...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 discovery, volume 8(1)
doi: 10.1038/s41420-022-01239-3
PMID: 36329012
-> show bibtex entry...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 Physics, volume 24(41)
doi: 10.1039/D2CP03921D
-> show bibtex entry...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 Letters, volume 596(21)
-> show bibtex entry...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 Experiments, issue 180
doi: 10.3791/63333
-> show bibtex entry...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
Molecules, volume 26(16)
doi: 10.3390/molecules26165009
PMID: 34443596
-> show bibtex entry...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 Sciences, volume 22(6)
doi: 10.3390/ijms22062997
PMID: 33804275
-> show bibtex entry...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 Development, volume 190
doi: 10.1016/j.mad.2020.111284
-> show bibtex entry...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 reports, volume 40(3)
doi: 10.1042/BSR20194431
PMID: 32068790
-> show bibtex entry...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 Experiments, issue 148
doi: 10.3791/59729
-> show bibtex entry...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 ONE, volume 14(8)
doi: 10.1371/journal.pone.0220434
-> show bibtex entry...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 Development, volume 177
doi: 10.1016/j.mad.2018.07.007
PMID: 30055189
-> show bibtex entry...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 Journal, volume 475(22)
doi: 10.1042/BCJ20180750
PMID: 0264-6021
-> show bibtex entry...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 Transactions, volume 46(2)
doi: 10.1042/BST20170518
PMID: 29487229
-> show bibtex entry...The FAH Fold Meets the Krebs Cycle
Jansen-Dürr, Pidder; Pircher, Haymo; Weiss, Alexander K.H.
Molecular Enzymology and Drug Targets, volume 02(01)
doi: 10.21767/2572-5475.100e104
-> show bibtex entry...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 Chemistry, volume 36(18)
doi: 10.1002/jcc.23935
PMID: 25974205
-> show bibtex entry...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 Chemistry, volume 1034
doi: 10.1016/j.comptc.2014.02.006
-> show bibtex entry...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 Chemistry, volume 53(22)
doi: 10.1021/ic4031156
PMID: 25157412
-> show bibtex entry...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 Transactions, volume 43(33)
doi: 10.1039/C4DT01010H
PMID: 25010434
-> show bibtex entry...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 B, volume 118(20)
doi: 10.1021/jp502651s
PMID: 24823262
-> show bibtex entry...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 Physics, volume 16(16)
doi: 10.1039/c3cp54986k
PMID: 24623175
-> show bibtex entry...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 Physics, volume 139(1)
doi: 10.1063/1.4811114
PMID: 23822310
-> show bibtex entry...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 Physics, volume 139(11)
doi: 10.1063/1.4820879
PMID: 24070289
-> show bibtex entry...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 B, volume 117(50)
doi: 10.1021/jp407179s
PMID: 24256443
-> show bibtex entry...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 Chemistry, volume 1022
doi: 10.1016/j.comptc.2013.08.020
-> show bibtex entry...Exploiting the capabilities of quantum chemical simulations to characterise the hydration of molecular compounds
Weiss, Alexander K.H.; Hofer, Thomas S.
RSC Advances, volume 3(6)
doi: 10.1039/c2ra21873a
-> show bibtex entry...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 Biopharmaceutics, volume 84(3)
doi: 10.1016/j.ejpb.2013.01.006
PMID: 23395969
-> show bibtex entry...Urea in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)
Weiss, Alexander K.H.; Hofer, Thomas S.
Molecular BioSystems, volume 9(7)
doi: 10.1039/c3mb25522k
PMID: 23636218
-> show bibtex entry...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 A, volume 116(30)
doi: 10.1021/jp301569k
PMID: 22747253
-> show bibtex entry...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 Chemistry, volume 51(12)
doi: 10.1021/ic300385s
PMID: 22651096
-> show bibtex entry...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 Physics, volume 14(19)
doi: 10.1039/c2cp23497a
PMID: 22482114
-> show bibtex entry...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 Physics, volume 13(26)
doi: 10.1039/c1cp20669a
PMID: 21647491
-> show bibtex entry...Hydration of highly charged ions.
Hofer, Thomas S.; Weiss, Alexander K H; Randolf, Bernhard R.; Rode, Bernd M.
Chemical physics letters, volume 512(4-6)
doi: 10.1016/j.cplett.2011.05.060
PMID: 22298911
-> show bibtex entry...X-ray structure of mus musculus Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) apo-form uncomplexed.
PDB:6SBJ
doi: 10.2210/pdb6SBJ/pdb
-> show bibtex entry...X-ray structure of murine Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) in complex with inhibitor oxalate.
PDB:6SBI
doi: 10.2210/pdb6SBI/pdb
-> show bibtex entry...X-ray structure of homo sapiens Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) at 1.56A resolution.
PDB:6FOH
doi: 10.2210/pdb6FOH/pdb
-> show bibtex entry...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: 10.2210/pdb6FOG/pdb
-> show bibtex entry...