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 | 8561 | 2008 |
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 | 534 | 2013 |
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 | 534 | 2013 |
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 | 423 | 2014 |
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 | 383 | 2014 |
Adaptively biased molecular dynamics for free energy calculations V Babin, C Roland, C Sagui The Journal of chemical physics 128 (13), 134101, 2008 | 210 | 2008 |
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 | 169 | 2012 |
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 | 167 | 2013 |
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 | 162 | 2012 |
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 | 118 | 2009 |
AMBER, version 10 DA Case, TA Darden, TE Cheatham Iii, CL Simmerling, J Wang, RE Duke, ... University of California: San Francisco, CA, 2008 | 112 | 2008 |
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 | 101 | 2006 |
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 | 66 | 2006 |
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 | 61 | 2006 |
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 | 60 | 2012 |