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

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

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

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

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

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

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

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

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)

doi: 10.1002/1873-3468.14462

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

PDB:6SBJ

doi: 10.2210/pdb6SBJ/pdb

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

PDB:6SBI

doi: 10.2210/pdb6SBI/pdb

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

PDB:6FOH

doi: 10.2210/pdb6FOH/pdb

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