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

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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