Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.
about
Unfolded-state dynamics and structure of protein L characterized by simulation and experimentAnisotropic solvent model of the lipid bilayer. 1. Parameterization of long-range electrostatics and first solvation shell effectsIntrinsically disordered proteins in a physics-based worldModulation of the disordered conformational ensembles of the p53 transactivation domain by cancer-associated mutationsProteins at work: a combined small angle X-RAY scattering and theoretical determination of the multiple structures involved on the protein kinase functional landscapePreferential binding effects on protein structure and dynamics revealed by coarse-grained Monte Carlo simulation.Designing specific protein-protein interactions using computation, experimental library screening, or integrated methodsMultidimensional persistence in biomolecular dataMultiscale coarse-graining of the protein energy landscapeThe AGBNP2 Implicit Solvation Model.Surveying implicit solvent models for estimating small molecule absolute hydration free energies.Monte Carlo, harmonic approximation, and coarse-graining approaches for enhanced sampling of biomolecular structure.Residual structures, conformational fluctuations, and electrostatic interactions in the synergistic folding of two intrinsically disordered proteins.Differential geometry based solvation model I: Eulerian formulation.Coarse-Grained Molecular Models of Water: A Review.Differential geometry based solvation model II: Lagrangian formulation.Improved Generalized Born Solvent Model Parameters for Protein Simulations.Constrained Unfolding of a Helical Peptide: Implicit versus Explicit SolventsEfficient gaussian density formulation of volume and surface areas of macromolecules on graphical processing units.Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations.Parallelization and improvements of the generalized born model with a simple sWitching function for modern graphics processors.Refinement of Generalized Born Implicit Solvation Parameters for Nucleic Acids and Their Complexes with Proteins.Biomolecular dynamics: order-disorder transitions and energy landscapesThe electrostatic response of water to neutral polar solutes: implications for continuum solvent modeling.Force field bias in protein folding simulationsTrypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential.Probing the folding transition state structure of the villin headpiece subdomain via side chain and backbone mutagenesis.Biomolecularmodeling and simulation: a field coming of age.Measuring the shapes of macromolecules - and why it matters.Physical Modeling of Aqueous Solvation.Optimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibria.Ultrafast UV spectroscopy: from a local to a global view of dynamical processes in macromolecules.MIBPB: a software package for electrostatic analysis.Oil/water transfer is partly driven by molecular shape, not just size.An improved coarse-grained model of solvation and the hydrophobic effect.Molecular dynamics simulations of ionic and nonionic surfactant micelles with a generalized Born implicit-solvent model.Coarse grain lipid-protein molecular interactions and diffusion with MsbA flippase.Comparison of volume and surface area nonpolar solvation free energy terms for implicit solvent simulations.Generalized Born implicit solvent models for small molecule hydration free energies.Protein remains stable at unusually high temperatures when solvated in aqueous mixtures of amino acid based ionic liquids.
P2860
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P2860
Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.
description
2007 nî lūn-bûn
@nan
2007 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
Implicit modeling of nonpolar ...... nd conformational transitions.
@ast
Implicit modeling of nonpolar ...... nd conformational transitions.
@en
type
label
Implicit modeling of nonpolar ...... nd conformational transitions.
@ast
Implicit modeling of nonpolar ...... nd conformational transitions.
@en
prefLabel
Implicit modeling of nonpolar ...... nd conformational transitions.
@ast
Implicit modeling of nonpolar ...... nd conformational transitions.
@en
P2860
P356
P1476
Implicit modeling of nonpolar ...... nd conformational transitions.
@en
P2093
Charles L Brooks
Jianhan Chen
P2860
P304
P356
10.1039/B714141F
P407
P577
2007-11-14T00:00:00Z