Tackling force-field bias in protein folding simulations: folding of Villin HP35 and Pin WW domains in explicit water.
about
Taming the complexity of protein foldingIntrinsically disordered proteins in a physics-based worldSecondary Structure of Rat and Human Amylin across Force FieldsElectronic polarization stabilizes tertiary structure prediction of HP-36.Electrostatics, structure prediction, and the energy landscapes for protein folding and binding.Variational Optimization of an All-Atom Implicit Solvent Force Field to Match Explicit Solvent Simulation Data.Characterizing a partially ordered miniprotein through folding molecular dynamics simulations: Comparison with the experimental data.Order through disorder: hyper-mobile C-terminal residues stabilize the folded state of a helical peptide. a molecular dynamics studyFree-energy landscape of the GB1 hairpin in all-atom explicit solvent simulations with different force fields: Similarities and differencesBalanced Protein-Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein AssociationDisorder in cholesterol-binding functionality of CRAC peptides: a molecular dynamics study.Microscopic events in β-hairpin folding from alternative unfolded ensemblesAccelerated molecular dynamics simulations of protein folding.Residue-specific α-helix propensities from molecular simulation.Current status of protein force fields for molecular dynamics simulations.Smoothing of the GB1 hairpin folding landscape by interfacial confinement.Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formationThe conformational ensembles of α-synuclein and tau: combining single-molecule FRET and simulations.Protein folding kinetics and thermodynamics from atomistic simulationCharacterizing the Conformational Landscape of Flavivirus Fusion Peptides via Simulation and ExperimentOptimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles.A "slow" protein folds quickly in the end.Microsecond folding experiments and simulations: a match is made.The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.Comparing a simple theoretical model for protein folding with all-atom molecular dynamics simulations.Studying the role of cooperative hydration in stabilizing folded protein states.Structural Stability and Binding Strength of a Designed Peptide-Carbon Nanotube HybridThe folding of single domain proteins--have we reached a consensus?Biomolecularmodeling and simulation: a field coming of age.Three force fields' views of the 3(10) helix.Deficiencies in Molecular Dynamics Simulation-Based Prediction of Protein-DNA Binding Free Energy Landscapes.Advances in free-energy-based simulations of protein folding and ligand binding.Folding thermodynamics of β-hairpins studied by replica-exchange molecular dynamics simulations.Force-field dependence of chignolin folding and misfolding: comparison with experiment and redesign.Comparison of Secondary Structure Formation Using 10 Different Force Fields in Microsecond Molecular Dynamics Simulations.How robust are protein folding simulations with respect to force field parameterization?Two-dimensional replica exchange approach for peptide-peptide interactions.Replica exchange molecular dynamics simulation of structure variation from α/4β-fold to 3α-fold protein.Developing a molecular dynamics force field for both folded and disordered protein states.Amino-acid-dependent main-chain torsion-energy terms for protein systems
P2860
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P2860
Tackling force-field bias in protein folding simulations: folding of Villin HP35 and Pin WW domains in explicit water.
description
2010 nî lūn-bûn
@nan
2010 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Tackling force-field bias in p ...... WW domains in explicit water.
@ast
Tackling force-field bias in p ...... WW domains in explicit water.
@en
Tackling force-field bias in p ...... WW domains in explicit water.
@nl
type
label
Tackling force-field bias in p ...... WW domains in explicit water.
@ast
Tackling force-field bias in p ...... WW domains in explicit water.
@en
Tackling force-field bias in p ...... WW domains in explicit water.
@nl
prefLabel
Tackling force-field bias in p ...... WW domains in explicit water.
@ast
Tackling force-field bias in p ...... WW domains in explicit water.
@en
Tackling force-field bias in p ...... WW domains in explicit water.
@nl
P2860
P1433
P1476
Tackling force-field bias in p ...... WW domains in explicit water.
@en
P2093
Jeetain Mittal
P2860
P356
10.1016/J.BPJ.2010.05.005
P407
P577
2010-08-01T00:00:00Z