Alan Grossfield

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Serena Michaels-Pitman, Ph.D.Lockheed MartinAdresse e-mail validée de lmco.com
Nick LeioattsMax Planck Institute for Biophysical ChemistryAdresse e-mail validée de mpibpc.mpg.de
Michael F. BrownProfessor of Chemistry, Physics, & Applied Mathematics, University of ArizonaAdresse e-mail validée de u.arizona.edu
Joshua HornFormer Graduate Student, University of RochesterAdresse e-mail validée de urmc.rochester.edu
Jay PonderDepartment of Chemistry, Washington UniversityAdresse e-mail validée de dasher.wustl.edu
James SecklerResearch Assistant Professor in Biomedical Engineering, Case Western Reserve UniversityAdresse e-mail validée de case.edu
Daniel M. ZuckermanProfessor of Biomedical Engineering. Oregon Health & Science UniversityAdresse e-mail validée de ohsu.edu
Sreyoshi SurModerna Inc.Adresse e-mail validée de modernatx.com
David H. MathewsDepartment of Biochemistry and Biophysics, University of Rochester Medical CenterAdresse e-mail validée de urmc.rochester.edu
Frank SuitsResearch Staff Member, IBM ResearchAdresse e-mail validée de us.ibm.com
Pengyu RenDepartment of Biomedical Engineering, The University of Texas at AustinAdresse e-mail validée de mail.utexas.edu
Andrea MarkelzProfessor of Physics, University at Buffalo, SUNYAdresse e-mail validée de buffalo.edu
Donald EngelmanProfessor of Molecular Biophysics and Biochemistry, YaleAdresse e-mail validée de yale.edu
Kevin MacKenzieBaylor College of MedicineAdresse e-mail validée de bcm.edu
Rohit V. PappuGene K. Beare Distinguished Professor of Biomedical Engineering, Washington University in St. LouisAdresse e-mail validée de wustl.edu
Benjamin GastonAdresse e-mail validée de iu.edu
Aleksandar SpasicWuXi AppTec, Natick, MAAdresse e-mail validée de wuxiapptec.com
Harry A. SternOrogen TherapeuticsAdresse e-mail validée de orogentx.com
Santhosh M. BabyInvestigator, Galvani Bioelectronics/GSKAdresse e-mail validée de galvani.bio
William SwopeIBM Almaden Research CenterAdresse e-mail validée de gene.com

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Alan Grossfield

Biochemistry and Biophysics, University of Rochester Medical Center

Adresse e-mail validée de urmc.rochester.edu - Page d'accueil

molecular simulations


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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

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