关注
Volodymyr Babin
Volodymyr Babin
Senior Software Developer, Schrodinger
在 schrodinger.com 的电子邮件经过验证
标题
引用次数
引用次数
年份
Amber 14
DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ...
University of California, 2014
11989*2014
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
85612008
AMBER 12; University of California: San Francisco, 2012
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference, 1-826, 2010
561*2010
Development of a “first principles” water potential with flexible monomers: Dimer potential energy surface, VRT spectrum, and second virial coefficient
V Babin, C Leforestier, F Paesani
Journal of chemical theory and computation 9 (12), 5395-5403, 2013
5342013
Development of a “first principles” water potential with flexible monomers: Dimer potential energy surface, VRT spectrum, and second virial coefficient
V Babin, C Leforestier, F Paesani
Journal of chemical theory and computation 9 (12), 5395-5403, 2013
5342013
AMBER 10; University of California: San Francisco, 2008
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference, 1996
508*1996
Development of a “first principles” water potential with flexible monomers. II: Trimer potential energy surface, third virial coefficient, and small clusters
V Babin, GR Medders, F Paesani
Journal of chemical theory and computation 10 (4), 1599-1607, 2014
4232014
Development of a “first-principles” water potential with flexible monomers. III. Liquid phase properties
GR Medders, V Babin, F Paesani
Journal of chemical theory and computation 10 (8), 2906-2910, 2014
3832014
Adaptively biased molecular dynamics for free energy calculations
V Babin, C Roland, C Sagui
The Journal of chemical physics 128 (13), 134101, 2008
2102008
Toward a universal water model: First principles simulations from the dimer to the liquid phase
V Babin, GR Medders, F Paesani
The journal of physical chemistry letters 3 (24), 3765-3769, 2012
1692012
A critical assessment of two-body and three-body interactions in water
GR Medders, V Babin, F Paesani
Journal of chemical theory and computation 9 (2), 1103-1114, 2013
1672013
The water hexamer: cage, prism, or both. Full dimensional quantum simulations say both
Y Wang, V Babin, JM Bowman, F Paesani
Journal of the American Chemical Society 134 (27), 11116-11119, 2012
1622012
Conformations and free energy landscapes of polyproline peptides
M Moradi, V Babin, C Roland, TA Darden, C Sagui
Proceedings of the National Academy of Sciences 106 (49), 20746-20751, 2009
1182009
AMBER, version 10
DA Case, TA Darden, TE Cheatham Iii, CL Simmerling, J Wang, RE Duke, ...
University of California: San Francisco, CA, 2008
1122008
The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling corrections
V Babin, C Roland, TA Darden, C Sagui
The Journal of chemical physics 125 (20), 204909, 2006
1012006
AMBER 10, Users’ Manual
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco 30, 2008
76*2008
AMBER 12; University of California, San Francisco: San Francisco, CA, 2012
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference, 0
67
Molecular dynamics simulations of DNA with polarizable force fields: convergence of an ideal B-DNA structure to the crystallographic structure
V Babin, J Baucom, TA Darden, C Sagui
The Journal of Physical Chemistry B 110 (23), 11571-11581, 2006
662006
Deprotonation of Solvated Formic Acid: Car− Parrinello and Metadynamics Simulations
JG Lee, E Asciutto, V Babin, C Sagui, T Darden, C Roland
J. Phys. Chem. B 110 (5), 2325-2331, 2006
612006
Reaction path ensemble of the B–Z-DNA transition: a comprehensive atomistic study
M Moradi, V Babin, C Roland, C Sagui
Nucleic acids research 41 (1), 33-43, 2012
602012
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