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Alan Grossfield
Alan Grossfield
Biochemistry and Biophysics, University of Rochester Medical Center
Verified email at urmc.rochester.edu - Homepage
Title
Cited by
Cited by
Year
WHAM: the weighted histogram analysis method
A Grossfield
http://membrane.urmc.rochester.edu/content/wham, 2002
1020*2002
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
6392003
Quantifying uncertainty and sampling quality in biomolecular simulations
A Grossfield, DM Zuckerman
Annual reports in computational chemistry 5, 23-48, 2009
3552009
A role for direct interactions in the modulation of rhodopsin by ω-3 polyunsaturated lipids
A Grossfield, SE Feller, MC Pitman
Proceedings of the National Academy of Sciences 103 (13), 4888-4893, 2006
3312006
Simulation of Ca2+ and Mg2+ Solvation Using Polarizable Atomic Multipole Potential
D Jiao, C King, A Grossfield, TA Darden, P Ren
The journal of physical chemistry B 110 (37), 18553-18559, 2006
2982006
A lipid pathway for ligand binding is necessary for a cannabinoid G protein-coupled receptor
DP Hurst, A Grossfield, DL Lynch, S Feller, TD Romo, K Gawrisch, ...
Journal of Biological Chemistry 285 (23), 17954-17964, 2010
2402010
Convergence of molecular dynamics simulations of membrane proteins
A Grossfield, SE Feller, MC Pitman
Proteins: structure, function, and bioinformatics 67 (1), 31-40, 2007
2062007
Role of solvent in determining conformational preferences of alanine dipeptide in water
AN Drozdov, A Grossfield, RV Pappu
Journal of the American Chemical Society 126 (8), 2574-2581, 2004
1902004
Best practices for quantification of uncertainty and sampling quality in molecular simulations [Article v1. 0]
A Grossfield, PN Patrone, DR Roe, AJ Schultz, DW Siderius, ...
Living journal of computational molecular science 1 (1), 2018
1682018
Internal hydration increases during activation of the G-protein-coupled receptor rhodopsin
A Grossfield, MC Pitman, SE Feller, O Soubias, K Gawrisch
Journal of molecular biology 381 (2), 478-486, 2008
1632008
Role of cholesterol and polyunsaturated chains in lipid− protein interactions: molecular dynamics simulation of rhodopsin in a realistic membrane environment
MC Pitman, A Grossfield, F Suits, SE Feller
Journal of the American Chemical Society 127 (13), 4576-4577, 2005
1542005
Dependence of ion hydration on the sign of the ion’s charge
A Grossfield
The Journal of chemical physics 122 (2), 2005
1532005
Modulation of glycophorin A transmembrane helix interactions by lipid bilayers: molecular dynamics calculations
HI Petrache, A Grossfield, KR MacKenzie, DM Engelman, TB Woolf
Journal of molecular biology 302 (3), 727-746, 2000
1482000
Structural and dynamic effects of cholesterol at preferred sites of interaction with rhodopsin identified from microsecond length molecular dynamics simulations
G Khelashvili, A Grossfield, SE Feller, M Pitman, H Weinstein
Biophysical Journal 96 (3), 678a, 2009
1272009
Revised RNA dihedral parameters for the amber force field improve RNA molecular dynamics
AH Aytenfisu, A Spasic, A Grossfield, HA Stern, DH Mathews
Journal of chemical theory and computation 13 (2), 900-915, 2017
1202017
LOOS: an extensible platform for the structural analysis of simulations
TD Romo, A Grossfield
2009 Annual international conference of the IEEE Engineering in Medicine and …, 2009
1032009
Retinal counterion switch mechanism in vision evaluated by molecular simulations
K Martínez-Mayorga, MC Pitman, A Grossfield, SE Feller, MF Brown
Journal of the American Chemical Society 128 (51), 16502-16503, 2006
972006
Selectivity and mechanism of fengycin, an antimicrobial lipopeptide, from molecular dynamics
S Sur, TD Romo, A Grossfield
The Journal of Physical Chemistry B 122 (8), 2219-2226, 2018
952018
Lightweight object oriented structure analysis: tools for building tools to analyze molecular dynamics simulations
TD Romo, N Leioatts, A Grossfield
Journal of computational chemistry 35 (32), 2305-2318, 2014
942014
Recent progress in the study of G protein-coupled receptors with molecular dynamics computer simulations
A Grossfield
Biochimica et Biophysica Acta (BBA)-Biomembranes 1808 (7), 1868-1878, 2011
922011
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Articles 1–20