Jay Ponder
Jay Ponder
Department of Chemistry, Washington University
Adresse e-mail validée de dasher.wustl.edu - Page d'accueil
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Force fields for protein simulations
JW Ponder, DA Case
Advances in protein chemistry 66, 27-85, 2003
18562003
Tertiary templates for proteins: use of packing criteria in the enumeration of allowed sequences for different structural classes
JW Ponder, FM Richards
Journal of molecular biology 193 (4), 775-791, 1987
17821987
Polarizable atomic multipole water model for molecular mechanics simulation
P Ren, JW Ponder
The Journal of Physical Chemistry B 107 (24), 5933-5947, 2003
13052003
An efficient newton‐like method for molecular mechanics energy minimization of large molecules
JW Ponder, FM Richards
Journal of Computational Chemistry 8 (7), 1016-1024, 1987
9661987
Current status of the AMOEBA polarizable force field
JW Ponder, C Wu, P Ren, VS Pande, JD Chodera, MJ Schnieders, ...
The journal of physical chemistry B 114 (8), 2549-2564, 2010
9172010
TINKER: Software tools for molecular design
JW Ponder
Version, 2004
6882004
Consistent treatment of inter‐and intramolecular polarization in molecular mechanics calculations
P Ren, JW Ponder
Journal of computational chemistry 23 (16), 1497-1506, 2002
5912002
Ion solvation thermodynamics from simulation with a polarizable force field
A Grossfield, P Ren, JW Ponder
Journal of the American Chemical Society 125 (50), 15671-15682, 2003
5032003
Polarizable atomic multipole-based AMOEBA force field for proteins
Y Shi, Z Xia, J Zhang, R Best, C Wu, JW Ponder, P Ren
Journal of chemical theory and computation 9 (9), 4046-4063, 2013
3962013
Polarizable atomic multipole-based molecular mechanics for organic molecules
P Ren, C Wu, JW Ponder
Journal of chemical theory and computation 7 (10), 3143-3161, 2011
3232011
Analysis and application of potential energy smoothing and search methods for global optimization
RV Pappu, RK Hart, JW Ponder
The Journal of Physical Chemistry B 102 (48), 9725-9742, 1998
2951998
Accurate modeling of the intramolecular electrostatic energy of proteins
MJ Dudek, JW Ponder
Journal of Computational Chemistry 16 (7), 791-816, 1995
2651995
Systematic improvement of a classical molecular model of water
LP Wang, T Head-Gordon, JW Ponder, P Ren, JD Chodera, PK Eastman, ...
The Journal of Physical Chemistry B 117 (34), 9956-9972, 2013
2382013
Algorithms for calculating excluded volume and its derivatives as a function of molecular conformation and their use in energy minimization
CE Kundrot, JW Ponder, FM Richards
Journal of computational chemistry 12 (3), 402-409, 1991
2361991
Temperature and pressure dependence of the AMOEBA water model
P Ren, JW Ponder
The Journal of Physical Chemistry B 108 (35), 13427-13437, 2004
2132004
Light-activated rhodopsin induces structural binding motif in G protein α subunit
OG Kisselev, J Kao, JW Ponder, YC Fann, N Gautam, GR Marshall
Proceedings of the National Academy of Sciences 95 (8), 4270-4275, 1998
2101998
Definition of a metal-dependent/Li (+)-inhibited phosphomonoesterase protein family based upon a conserved three-dimensional core structure
JD York, JW Ponder, PW Majerus
Proceedings of the National Academy of Sciences 92 (11), 5149-5153, 1995
1921995
TINKER, Software Tools for Molecular Design, Version 4.2
JW Ponder
Washington University School of Medicine, St. Louis, 2004
1852004
The NMR solution structure of intestinal fatty acid-binding protein complexed with palmitate: application of a novel distance geometry algorithm
ME Hodsdon, JW Ponder, DP Cistola
Journal of molecular biology 264 (3), 585-602, 1996
1521996
Tinker, version 4.2
JW Ponder
Tinker Software Tools for Molecular Design, 2004
1332004
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