PubRank

Alan Grossfield

Author PubWeight™ 24.69‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Simulation of Ca2+ and Mg2+ solvation using polarizable atomic multipole potential. J Phys Chem B 2006 1.73
2 A lipid pathway for ligand binding is necessary for a cannabinoid G protein-coupled receptor. J Biol Chem 2010 1.59
3 Role of solvent in determining conformational preferences of alanine dipeptide in water. J Am Chem Soc 2004 1.46
4 Retinal counterion switch mechanism in vision evaluated by molecular simulations. J Am Chem Soc 2006 1.40
5 LOOS: an extensible platform for the structural analysis of simulations. Conf Proc IEEE Eng Med Biol Soc 2009 1.37
6 Structural and dynamic effects of cholesterol at preferred sites of interaction with rhodopsin identified from microsecond length molecular dynamics simulations. Proteins 2009 1.16
7 Role of cholesterol and polyunsaturated chains in lipid-protein interactions: molecular dynamics simulation of rhodopsin in a realistic membrane environment. J Am Chem Soc 2005 1.14
8 Concerted interconversion between ionic lock substates of the beta(2) adrenergic receptor revealed by microsecond timescale molecular dynamics. Biophys J 2010 1.04
9 Dynamic structure of retinylidene ligand of rhodopsin probed by molecular simulations. J Mol Biol 2007 1.03
10 Retinal ligand mobility explains internal hydration and reconciles active rhodopsin structures. Biochemistry 2014 1.01
11 Validating and improving elastic network models with molecular dynamics simulations. Proteins 2010 0.98
12 Molecular dynamics simulations reveal specific interactions of post-translational palmitoyl modifications with rhodopsin in membranes. J Am Chem Soc 2012 0.95
13 Base flipping of the thymine dimer in duplex DNA. J Phys Chem B 2007 0.95
14 Characterization of a potent antimicrobial lipopeptide via coarse-grained molecular dynamics. Biochim Biophys Acta 2011 0.89
15 Elastic Network Models are Robust to Variations in Formalism. J Chem Theory Comput 2012 0.87
16 Contribution of omega-3 fatty acids to the thermodynamics of membrane protein solvation. J Phys Chem B 2006 0.84
17 The interplay of structure and dynamics: insights from a survey of HIV-1 reverse transcriptase crystal structures. Proteins 2013 0.82
18 Membrane binding of an acyl-lactoferricin B antimicrobial peptide from solid-state NMR experiments and molecular dynamics simulations. Biochim Biophys Acta 2011 0.82
19 Interactions between fengycin and model bilayers quantified by coarse-grained molecular dynamics. Biophys J 2013 0.81
20 Simulating the mechanism of antimicrobial lipopeptides with all-atom molecular dynamics. Biochemistry 2013 0.80
21 Structure-based simulations reveal concerted dynamics of GPCR activation. Proteins 2014 0.79
22 Global fold of human cannabinoid type 2 receptor probed by solid-state 13C-, 15N-MAS NMR and molecular dynamics simulations. Proteins 2013 0.78
23 Coarse-grained molecular dynamics provides insight into the interactions of lipids and cholesterol with rhodopsin. Adv Exp Med Biol 2014 0.77
24 Lightweight object oriented structure analysis: tools for building tools to analyze molecular dynamics simulations. J Comput Chem 2014 0.76
25 Special issue on lipid-protein interactions. Chem Phys Lipids 2013 0.75
26 99 Improving the amber RNA force field. J Biomol Struct Dyn 2015 0.75