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Martin Zacharias
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Separation‐shifted scaling, a new scaling method for Lennard‐Jones interactions in thermodynamic integration
M Zacharias, TP Straatsma, JA McCammon
The Journal of chemical physics 100 (12), 9025-9031, 1994
5521994
NWChem: Past, present, and future
E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ...
The Journal of chemical physics 152 (18), 2020
5052020
Protein–protein docking with a reduced protein model accounting for side‐chain flexibility
M Zacharias
Protein Science 12 (6), 1271-1282, 2003
3822003
A family of macrodomain proteins reverses cellular mono-ADP-ribosylation
G Jankevicius, M Hassler, B Golia, V Rybin, M Zacharias, G Timinszky, ...
Nature structural & molecular biology 20 (4), 508-514, 2013
3422013
A molecular mechanics/grid method for evaluation of ligand–receptor interactions
BA Luty, ZR Wasserman, PFW Stouten, CN Hodge, M Zacharias, ...
Journal of Computational Chemistry 16 (4), 454-464, 1995
2911995
NWChem
E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ...
American Institute of Physics, 2020
2202020
A statistical analysis of random mutagenesis methods used for directed protein evolution
TS Wong, D Roccatano, M Zacharias, U Schwaneberg
Journal of molecular biology 355 (4), 858-871, 2006
2082006
Single-molecule dissection of stacking forces in DNA
F Kilchherr, C Wachauf, B Pelz, M Rief, M Zacharias, H Dietz
Science 353 (6304), aaf5508, 2016
2072016
EPSVR and EPMeta: prediction of antigenic epitopes using support vector regression and multiple server results
S Liang, D Zheng, DM Standley, B Yao, M Zacharias, C Zhang
BMC bioinformatics 11 (1), 1-6, 2010
1842010
Accounting for conformational changes during protein–protein docking
M Zacharias
Current opinion in structural biology 20 (2), 180-186, 2010
1782010
Multiple molecular architectures of the eye lens chaperone αB-crystallin elucidated by a triple hybrid approach
N Braun, M Zacharias, J Peschek, A Kastenmüller, J Zou, M Hanzlik, ...
Proceedings of the National Academy of Sciences 108 (51), 20491-20496, 2011
1772011
CHARMM-GUI supports the Amber force fields
J Lee, M Hitzenberger, M Rieger, NR Kern, M Zacharias, W Im
The Journal of chemical physics 153 (3), 2020
1762020
Conformational flexibility of the MHC class I α1-α2 domain in peptide bound and free states: a molecular dynamics simulation study
M Zacharias, S Springer
Biophysical journal 87 (4), 2203-2214, 2004
1682004
The interface of protein-protein complexes: analysis of contacts and prediction of interactions
RP Bahadur, M Zacharias
Cellular and Molecular Life Sciences 65, 1059-1072, 2008
1572008
Community-wide assessment of protein-interface modeling suggests improvements to design methodology
SJ Fleishman, TA Whitehead, EM Strauch, JE Corn, S Qin, HX Zhou, ...
Journal of molecular biology 414 (2), 289-302, 2011
1552011
Bulge-induced bends in RNA: quantification by transient electric birefringence
M Zacharias, PJ Hagerman
Journal of molecular biology 247 (3), 486-500, 1995
1461995
Cryo-EM structure of a transthyretin-derived amyloid fibril from a patient with hereditary ATTR amyloidosis
M Schmidt, S Wiese, V Adak, J Engler, S Agarwal, G Fritz, P Westermark, ...
Nature Communications 10 (1), 5008, 2019
1392019
Energy minimization in low‐frequency normal modes to efficiently allow for global flexibility during systematic protein–protein docking
A May, M Zacharias
Proteins: Structure, Function, and Bioinformatics 70 (3), 794-809, 2008
1392008
Accounting for global protein deformability during protein–protein and protein–ligand docking
A May, M Zacharias
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1754 (1-2), 225-231, 2005
1372005
Dissecting protein–RNA recognition sites
RP Bahadur, M Zacharias, J Janin
Nucleic acids research 36 (8), 2705-2716, 2008
1312008
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