| CHARMM: the biomolecular simulation program BR Brooks, CL Brooks III, AD Mackerell Jr, L Nilsson, RJ Petrella, B Roux, ... Journal of computational chemistry 30 (10), 1545-1614, 2009 | 6191 | 2009 |
| Constant pressure molecular dynamics simulation: the Langevin piston method SE Feller, Y Zhang, RW Pastor, BR Brooks The Journal of chemical physics 103 (11), 4613-4621, 1995 | 3521 | 1995 |
| Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types JB Klauda, RM Venable, JA Freites, JW O’Connor, DJ Tobias, ... The journal of physical chemistry B 114 (23), 7830-7843, 2010 | 2723 | 2010 |
| Backbone dynamics of calmodulin studied by nitrogen-15 relaxation using inverse detected two-dimensional NMR spectroscopy: the central helix is flexible G Barbato, M Ikura, LE Kay, RW Pastor, A Bax Biochemistry 31 (23), 5269-5278, 1992 | 1067 | 1992 |
| Rotational diffusion anisotropy of human ubiquitin from 15N NMR relaxation N Tjandra, SE Feller, RW Pastor, A Bax Journal of the American Chemical Society 117 (50), 12562-12566, 2002 | 785 | 2002 |
| An analysis of the accuracy of Langevin and molecular dynamics algorithms RW Pastor, BR Brooks, A Szabo Molecular Physics 65 (6), 1409-1419, 1988 | 727 | 1988 |
| Langevin dynamics of peptides: The frictional dependence of isomerization rates of N‐acetylalanyl‐N′‐methylamide RJ Loncharich, BR Brooks, RW Pastor Biopolymers: Original Research on Biomolecules 32 (5), 523-535, 1992 | 706 | 1992 |
| CHARMM additive all-atom force field for glycosidic linkages between hexopyranoses O Guvench, E Hatcher, RM Venable, RW Pastor, AD MacKerell Jr Journal of chemical theory and computation 5 (9), 2353-2370, 2009 | 485 | 2009 |
| Additive empirical force field for hexopyranose monosaccharides O Guvench, SN Greene, G Kamath, JW Brady, RM Venable, RW Pastor, ... Journal of computational chemistry 29 (15), 2543-2564, 2008 | 473 | 2008 |
| Effect of electrostatic force truncation on interfacial and transport properties of water SE Feller, RW Pastor, A Rojnuckarin, S Bogusz, BR Brooks The Journal of Physical Chemistry 100 (42), 17011-17020, 1996 | 419 | 1996 |
| Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy H Lee, RM Venable, AD MacKerell Jr, RW Pastor Biophysical journal 95 (4), 1590-1599, 2008 | 401 | 2008 |
| Molecular dynamics simulations of a lipid bilayer and of hexadecane: an investigation of membrane fluidity RM Venable, Y Zhang, BJ Hardy, RW Pastor Science 262 (5131), 223-226, 1993 | 399 | 1993 |
| A coarse-grained model for polyethylene oxide and polyethylene glycol: conformation and hydrodynamics H Lee, AH de Vries, SJ Marrink, RW Pastor The journal of physical chemistry B 113 (40), 13186-13194, 2009 | 360 | 2009 |
| Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies SE Feller, D Yin, RW Pastor, AD MacKerell Jr Biophysical journal 73 (5), 2269-2279, 1997 | 358 | 1997 |
| Computer simulation of liquid/liquid interfaces. I. Theory and application to octane/water Y Zhang, SE Feller, BR Brooks, RW Pastor The Journal of chemical physics 103 (23), 10252-10266, 1995 | 354 | 1995 |
| Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozyme M Buck, S Bouguet-Bonnet, RW Pastor, AD MacKerell Jr Biophysical journal 90 (4), L36-L38, 2006 | 335 | 2006 |
| Constant surface tension simulations of lipid bilayers: the sensitivity of surface areas and compressibilities SE Feller, RW Pastor The Journal of chemical physics 111 (3), 1281-1287, 1999 | 330 | 1999 |
| An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer JB Klauda, BR Brooks, AD MacKerell, RM Venable, RW Pastor The journal of physical chemistry B 109 (11), 5300-5311, 2005 | 317 | 2005 |
| Development of the CHARMM force field for lipids RW Pastor, AD MacKerell Jr The journal of physical chemistry letters 2 (13), 1526-1532, 2011 | 275 | 2011 |
| Additive and classical drude polarizable force fields for linear and cyclic ethers I Vorobyov, VM Anisimov, S Greene, RM Venable, A Moser, RW Pastor, ... Journal of chemical theory and computation 3 (3), 1120-1133, 2007 | 251 | 2007 |
Bernard R. BrooksNIH NHLBIVerified email at nih.gov
