Alan Grossfield

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Serena Michaels-Pitman, Ph.D.Lockheed MartinEmail verificata su lmco.com
Nick LeioattsMax Planck Institute for Biophysical ChemistryEmail verificata su mpibpc.mpg.de
Michael F. BrownProfessor of Chemistry, Physics, & Applied Mathematics, University of ArizonaEmail verificata su u.arizona.edu
Joshua HornFormer Graduate Student, University of RochesterEmail verificata su urmc.rochester.edu
Jay PonderDepartment of Chemistry, Washington UniversityEmail verificata su dasher.wustl.edu
James SecklerResearch Assistant Professor in Biomedical Engineering, Case Western Reserve UniversityEmail verificata su case.edu
Daniel M. ZuckermanProfessor of Biomedical Engineering. Oregon Health & Science UniversityEmail verificata su ohsu.edu
Sreyoshi SurModerna Inc.Email verificata su modernatx.com
David H. MathewsDepartment of Biochemistry and Biophysics, University of Rochester Medical CenterEmail verificata su urmc.rochester.edu
Frank SuitsResearch Staff Member, IBM ResearchEmail verificata su us.ibm.com
Pengyu RenDepartment of Biomedical Engineering, The University of Texas at AustinEmail verificata su mail.utexas.edu
Andrea MarkelzProfessor of Physics, University at Buffalo, SUNYEmail verificata su buffalo.edu
Donald EngelmanProfessor of Molecular Biophysics and Biochemistry, YaleEmail verificata su yale.edu
Kevin MacKenzieBaylor College of MedicineEmail verificata su bcm.edu
Rohit V. PappuGene K. Beare Distinguished Professor of Biomedical Engineering, Washington University in St. LouisEmail verificata su wustl.edu
Benjamin GastonEmail verificata su iu.edu
Aleksandar SpasicWuXi AppTec, Natick, MAEmail verificata su wuxiapptec.com
Harry A. SternOrogen TherapeuticsEmail verificata su orogentx.com
Santhosh M. BabyInvestigator, Galvani Bioelectronics/GSKEmail verificata su galvani.bio
William SwopeIBM Almaden Research CenterEmail verificata su gene.com

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Alan Grossfield

Biochemistry and Biophysics, University of Rochester Medical Center

Email verificata su urmc.rochester.edu - Home page

molecular simulations


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
WHAM: the weighted histogram analysis method A Grossfield http://membrane.urmc.rochester.edu/content/wham, 2002	1036*	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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