Publications

It always seems impossible until it's done. | Nelson Mandela

PDB:

6FOG: X-ray structure of homo sapiens Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) in complex with inhibitor oxalate at 1.94A resolution., DOI:10.2210/pdb6FOG/pdb
6FOH: X-ray structure of homo sapiens Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) at 1.56A resolution., DOI:10.2210/pdb6FOH/pdb
6SBI: X-ray structure of murine Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) in complex with inhibitor oxalate, DOI:10.2210/pdb6SBI/pdb
6SBJ: X-ray structure of mus musculus Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) apo-form uncomplexed., DOI:10.2210/pdb6SBJ/pdb

2022:

Gamper, J., Kluibenschedl, F., Weiss, A. & Hofer, T, From Vibrational Spectroscopy and Quantum Tunneling to Periodic Band Structures – a Self-Supervised, All-Purpose Neural Network Approach to General Quantum Problems, Physical Chemistry Chemical Physics (2022) DOI:10.1039/D2CP03921D

Heilmann, E., Costacurta, F., Moghadasi, S. A., Ye, C., Pavan, M., Bassani, D., et al., SARS-CoV-2 3CL pro mutations selected in a VSV-based system confer resistance to nirmatrelvir, ensitrelvir, and GC376, Science Translational Medicine (2022) DOI:10.1126/scitranslmed.abq7360

Holzknecht, M., Guerrero-Navarro, L., Petit, M., Albertini, E., Damisch, E., Simonini, A., et al., The mitochondrial enzyme FAHD1 regulates complex II activity in breast cancer cells and is indispensable for basal BT‐20 cells in vitro, FEBS Letters (2022) DOI:10.1002/1873-3468.14462

Andric, A, Wagner E., Heberle A., Holzknecht M., Weiss A. K. H., Extraction and Purification of FAHD1 Protein from Swine Kidney and Mouse Liver, J. Vis. Exp. (180), e63333 DOI:10.3791/63333

2021:

Weiss, A. K. H., Wurzer, R., Klapec, P., Eder, M. P., Loeffler, J. R., von Grafenstein, S., et al., Inhibitors of Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1), Molecules 26, 5009 (2021), DOI:10.3390/molecules26165009

Gerna, D., Arc, E., Holzknecht, M., Roach, T., Jansen-Dürr, P., Weiss, A. K. H., et al., AtFAHD1a: A New Player Influencing Seed Longevity and Dormancy in Arabidopsis?, Int. J. Mol. Sci. 22, 2997 (2021), DOI:10.3390/ijms22062997

2020:

Weiss, A. K. H., Albertini, E., Holzknecht, M., Cappuccio, E., Dorigatti, I., Krahbichler, A., et al., Regulation of cellular senescence by eukaryotic members of the FAH superfamily - A role in calcium homeostasis?, Mechanisms of Ageing and Development 190, 111284 (2020), DOI:10.1016/j.mad.2020.111284
Weiss, A. K. H., Naschberger, A., Cappuccio, E., Metzger, C., Mottes, L., Holzknecht, M., et al., Structural and functional comparison of fumarylacetoacetate domain containing protein 1 in human and mouse, Bioscience Reports 40, (2020), DOI:10.1042/BSR20194431

before starting the lab:

Etemad, S., Petit, M., Weiss, A. K. H., Schrattenholz, A., Baraldo, G. & Jansen-Dürr, P., Oxaloacetate decarboxylase FAHD1 - a new regulator of mitochondrial function and senescence., Mechanisms of Ageing and Development 177, 22-29 (2019), DOI:10.1016/j.mad.2018.07.007
Baraldo, G., Etemad, S., Weiss, A. K. H., Jansen-Dürr, P. & Mack, H. I. D., Modulation of serotonin signaling by the putative oxaloacetate decarboxylase FAHD-1 in Caenorhabditis elegans., PLOS ONE 14, e0220434 (2019), DOI:10.1371/journal.pone.0220434
Weiss, A. K. H., Holzknecht, M., Cappuccio, E., Dorigatti, I., Kreidl, K., Naschberger, A., et al., Expression, Purification, Crystallization, and Enzyme Assays of Fumarylacetoacetate Hydrolase Domain-Containing Proteins., Journal of Visualized Experiments e59729 (2019), DOI:10.3791/59729
Weiss, A. K. H., Naschberger, A., Loeffler, J. R., Gstach, H., Bowler, M. W., Holzknecht, M., et al., Structural basis for the bi-functionality of human oxaloacetate decarboxylase FAHD1., Biochemical Journal 475, 3561-3576 (2018), DOI:10.1042/BCJ20180750
Weiss, A. K. H., Loeffler, J. R., Liedl, K. R., Gstach, H. & Jansen-Dürr, P., The fumarylacetoacetate hydrolase (FAH) superfamily of enzymes: multifunctional enzymes from microbes to mitochondria., Biochemical Society transactions 46, 295-309 (2018), DOI:10.1042/BST20170518
Jansen-Duerr, P., Pircher, H. & Weiss, A. K. H., The FAH Fold Meets the Krebs Cycle., Molecular Enzymology and Drug Targets 02, 1-5 (2016), DOI:10.21767/2572-5475.100e104
Weiss, A. K. H. & Ochsenfeld, C., A rigorous and optimized strategy for the evaluation of the Boys function kernel in molecular electronic structure theory., Journal of Computational Chemistry 36, 1390-1398 (2015), DOI:10.1002/jcc.23935
Canaval, L. R., Lutz, O. M. D., Weiss, A. K. H., Huck, C. W. & Hofer, T. S., A dissociative quantum mechanical/molecular mechanical molecular dynamics simulation and infrared experiments reveal characteristics of the strongly hydrolytic arsenic(III)., Inorganic chemistry 53, 11861-11870 (2014), DOI:10.1021/ic4031156
Eklund, L., Hofer, T. S., Weiss, A. K. H., Tirler, A. O. & Persson, I., Structure and water exchange of the hydrated thiosulfate ion in aqueous solution using QMCF MD simulation and large angle X-ray scattering., Dalton Trans. 43, 12711-12720 (2014), DOI:10.1039/C4DT01010H
Moin, S. T., Weiss, A. K. H. & Rode, B. M., Ionized CO2 in aqueous environment: Ab initio QMCF-MD studies., Computational and Theoretical Chemistry 1034, 85-93 (2014), DOI:10.1016/j.comptc.2014.02.006
Wiedemair, M. J., Weiss, A. K. H. & Rode, B. M., Ab initio quantum mechanical simulations confirm the formation of all postulated species in ionic dissociation., Physical chemistry chemical physics : PCCP 16, 7368-7376 (2014), DOI:10.1039/c3cp54986k
Bhattacharjee, A., Weiss, A. K. H., Artero, V., Field, M. J. & Hofer, T. S., Electronic structure and hydration of tetramine cobalt hydride complexes., The journal of physical chemistry. B 118, 5551-5561 (2014), DOI:10.1021/jp502651s
Moin, S. T., Hofer, T. S., Weiss, A. K. H. H. & Rode, B. M., 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 of Chemical Physics 139, 014503 (2013), DOI:10.1063/1.4811114
Weiss, A. K. H. & Hofer, T. S., Exploiting the capabilities of quantum chemical simulations to characterise the hydration of molecular compounds., RSC Advances 3, 1606-1635 (2013), DOI:10.1039/c2ra21873a
Weiss, A. K. H. & Hofer, T. S., Urea in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)., Molecular BioSystems 9, 1864-1876 (2013), DOI:10.1039/c3mb25522k
Schönbichler, S. A., Bittner, L. K. H., Weiss, A. K. H., Griesser, U. J., Pallua, J. D. & Huck, C. W., Comparison of NIR chemical imaging with conventional NIR, Raman and ATR-IR spectroscopy for quantification of furosemide crystal polymorphs in ternary powder mixtures., European Journal of Pharmaceutics and Biopharmaceutics 84, 616-625 (2013), DOI:10.1016/j.ejpb.2013.01.006
Hitzenberger, M., Hofer, T. S. & Weiss, A. K. H., Solvation properties and behaviour of lutetium(III) in aqueous solution-A quantum mechanical charge field (QMCF) study., Journal of Chemical Physics 139, 114306 (2013), DOI:10.1063/1.4820879
Tirler, A. O., Weiss, A. K. H. & Hofer, T. S., A comparative quantum mechanical charge field study of uranyl mono- and dicarbonate species in aqueous solution., The journal of physical chemistry. B 117, 16174-16187 (2013), DOI:10.1021/jp407179s
Canaval, L. R., Weiss, A. K. H. & Rode, B. M., Structure and dynamics of the Th4+-ion in aqueous solution – An ab initio QMCF-MD study., Computational and Theoretical Chemistry 1022, 94-102 (2013), DOI:10.1016/j.comptc.2013.08.020
Khan, A., Weiss, A. K. H., Uddin, R., Randolf, B. R., Rode, B. M. & Hofer, T. S., Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation (QMCF-MD) of Bi 3+ in Water., The Journal of Physical Chemistry A 116, 8008-8014 (2012), DOI:10.1021/jp301569k
Lutz, O. M. D., Hofer, T. S., Randolf, B. R., Weiss, A. K. H. & Rode, B. M., A QMCF-MD investigation of the structure and dynamics of Ce4+ in aqueous solution., Inorganic chemistry 51, 6746-6752 (2012), DOI:10.1021/ic300385s
Weiss, A. K. H. H., Hofer, T. S., Randolf, B. R. & Rode, B. M., Guanidinium in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)., Physical Chemistry Chemical Physics 14, 7012-7027 (2012), DOI:10.1039/c2cp23497a
Weiss, A. K. H., Hofer, T. S., Randolf, B. R., Bhattacharjee, A. & Rode, B. M., Hydrogen bond formation of formamide and N-methylformamide in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)., Physical chemistry chemical physics : PCCP 13, 12173-12185 (2011), DOI:10.1039/c1cp20669a
Hofer, T. S., Weiss, A. K. H., Randolf, B. R. & Rode, B. M., Hydration of highly charged ions., Chemical physics letters 512, 139-145 (2011), DOI:10.1016/j.cplett.2011.05.060
Hinteregger, E., Pribil, A. B., Hofer, T. S., Randolf, B. R., Weiss, A. K. H. & Rode, B. M., Structure and Dynamics of the Chromate Ion in Aqueous Solution. An ab Initio QMCF-MD Simulation., Inorganic Chemistry 49, 7964-7968 (2010), DOI:10.1021/ic101001e

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