Published in Chem Rev on May 01, 2006
Molecular dynamics: survey of methods for simulating the activity of proteins. Chem Rev (2006) 3.18
Dynameomics: a comprehensive database of protein dynamics. Structure (2010) 2.50
Taking Ockham's razor to enzyme dynamics and catalysis. Nat Chem (2012) 1.71
R.E.DD.B.: a database for RESP and ESP atomic charges, and force field libraries. Nucleic Acids Res (2007) 1.21
Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force field. J Phys Chem A (2010) 1.19
Multiscale coarse-graining and structural correlations: connections to liquid-state theory. J Phys Chem B (2007) 1.18
Residual structures, conformational fluctuations, and electrostatic interactions in the synergistic folding of two intrinsically disordered proteins. PLoS Comput Biol (2012) 1.08
beta-Strand interactions at the domain interface critical for the stability of human lens gammaD-crystallin. Protein Sci (2010) 1.03
Intrinsically disordered proteins in a physics-based world. Int J Mol Sci (2010) 0.97
The folding transition-state ensemble of a four-helix bundle protein: helix propensity as a determinant and macromolecular crowding as a probe. Biophys J (2010) 0.96
Correlated parameter fit of arrhenius model for thermal denaturation of proteins and cells. Ann Biomed Eng (2014) 0.96
Biomolecular simulation and modelling: status, progress and prospects. J R Soc Interface (2008) 0.91
Implementation of molecular dynamics and its extensions with the coarse-grained UNRES force field on massively parallel systems; towards millisecond-scale simulations of protein structure, dynamics, and thermodynamics. J Chem Theory Comput (2010) 0.89
Naturally occurring osmolytes modulate the nanomechanical properties of polycystic kidney disease domains. J Biol Chem (2010) 0.86
Measuring the interaction of urea and protein-stabilizing osmolytes with the nonpolar surface of hydroxypropylcellulose. Biochemistry (2008) 0.86
Coarse-grained strategy for modeling protein stability in concentrated solutions. III: directional protein interactions. Biophys J (2007) 0.82
Molecular mechanics. Curr Pharm Des (2014) 0.81
Insights into the structural stability of Bax from molecular dynamics simulations at high temperatures. Protein Sci (2011) 0.80
Thermal unfolding simulations of bacterial flagellin: insight into its refolding before assembly. Biophys J (2008) 0.80
Multiple routes and milestones in the folding of HIV-1 protease monomer. PLoS One (2010) 0.79
Predicting the folding pathway of engrailed homeodomain with a probabilistic roadmap enhanced reaction-path algorithm. Biophys J (2007) 0.79
Temperature-dependent Hammond behavior in a protein-folding reaction: analysis of transition-state movement and ground-state effects. J Mol Biol (2008) 0.78
Molecular modeling of cytochrome b₅ with a single cytochrome c-like thioether linkage. J Mol Model (2011) 0.77
Molecular dynamics simulations of the Bcl-2 protein to predict the structure of its unordered flexible loop domain. J Mol Model (2011) 0.77
Energetic changes caused by antigenic module insertion in a virus-like particle revealed by experiment and molecular dynamics simulations. PLoS One (2014) 0.77
Dynamics comparison of two myoglobins with a distinct heme active site. J Mol Model (2011) 0.77
Molecular Dynamics Driven Design of pH-Stabilized Mutants of MNEI, a Sweet Protein. PLoS One (2016) 0.76
Hydration dynamics in a partially denatured ensemble of the globular protein human alpha-lactalbumin investigated with molecular dynamics simulations. Biophys J (2008) 0.76
Molecular Dynamics of Rab7::REP1::GGTase-II Ternary Complex and Identification of Their Putative Drug Binding Sites. Indian J Pharm Sci (2013) 0.75
Introduction. Biomolecular simulation. J R Soc Interface (2008) 0.75
Protein dynamics via computational microscope. World J Methodol (2012) 0.75
Critical structural fluctuations of proteins upon thermal unfolding challenge the Lindemann criterion. Proc Natl Acad Sci U S A (2017) 0.75
Dynamics and unfolding pathway of chimeric azurin variants: insights from molecular dynamics simulation. J Biol Inorg Chem (2013) 0.75
Insights into the unfolding pathway and identification of thermally sensitive regions of phytase from Aspergillus niger by molecular dynamics simulations. J Mol Model (2015) 0.75
Protein remains stable at unusually high temperatures when solvated in aqueous mixtures of amino acid based ionic liquids. J Mol Model (2016) 0.75
Structural and functional alterations of myoglobin by glucose-protein interactions. J Mol Model (2014) 0.75