| WHAM: the weighted histogram analysis method A Grossfield http://membrane.urmc.rochester.edu/content/wham, 2002 | 1037* | 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 | 640 | 2003 |
| Quantifying uncertainty and sampling quality in biomolecular simulations A Grossfield, DM Zuckerman Annual reports in computational chemistry 5, 23-48, 2009 | 359 | 2009 |
| 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 | 331 | 2006 |
| 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 | 302 | 2006 |
| 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 | 240 | 2010 |
| Convergence of molecular dynamics simulations of membrane proteins A Grossfield, SE Feller, MC Pitman Proteins: structure, function, and bioinformatics 67 (1), 31-40, 2007 | 207 | 2007 |
| 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 | 190 | 2004 |
| 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 | 174 | 2018 |
| 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 | 166 | 2008 |
| 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 | 154 | 2005 |
| Dependence of ion hydration on the sign of the ion’s charge A Grossfield The Journal of chemical physics 122 (2), 2005 | 154 | 2005 |
| 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 | 148 | 2000 |
| 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 | 127 | 2009 |
| 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 | 123 | 2017 |
| 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 | 105 | 2009 |
| 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 | 98 | 2018 |
| 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 | 98 | 2014 |
| 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 | 98 | 2006 |
| 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 | 93 | 2011 |
Serena Michaels-Pitman, Ph.D.Lockheed MartinVerified email at lmco.com