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Richard W. Pastor
Richard W. Pastor
NIH
Bestätigte E-Mail-Adresse bei nhlbi.nih.gov - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
93032009
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
48521995
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
44402010
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
11951992
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
11791992
An analysis of the accuracy of Langevin and molecular dynamics algorithms
RW Pastor, BR Brooks, A Szabo
Molecular Physics 65 (6), 1409-1419, 1988
10921988
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
8482002
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
6912009
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
6052008
Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy
H Lee, RM Venable, AD MacKerell, RW Pastor
Biophysical journal 95 (4), 1590-1599, 2008
5452008
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
4702009
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
4601995
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
4591996
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
4501993
Development of the CHARMM force field for lipids
RW Pastor, AD MacKerell Jr
The journal of physical chemistry letters 2 (13), 1526-1532, 2011
4192011
Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozyme
M Buck, S Bouguet-Bonnet, RW Pastor, AD MacKerell
Biophysical journal 90 (4), L36-L38, 2006
4162006
Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies
SE Feller, D Yin, RW Pastor, AD MacKerell
Biophysical journal 73 (5), 2269-2279, 1997
4001997
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
3861999
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
3622005
Mechanical properties of lipid bilayers from molecular dynamics simulation
RM Venable, FLH Brown, RW Pastor
Chemistry and physics of lipids 192, 60-74, 2015
3192015
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