Molecular simulation study of cooperativity in hydrophobic association
about
Liquid-liquid phase separation of N-isopropylpropionamide aqueous solutions above the lower critical solution temperature.Increasing the precision of comparative models with YASARA NOVA-a self-parameterizing force fieldProtein folding mediated by solvation: water expulsion and formation of the hydrophobic core occur after the structural collapseApplication of information theory to a three-body coarse-grained representation of proteins in the PDB: insights into the structural and evolutionary roles of residues in protein structure.Geofold: topology-based protein unfolding pathways capture the effects of engineered disulfides on kinetic stability.Anti-cooperativity and cooperativity in hydrophobic interactions: Three-body free energy landscapes and comparison with implicit-solvent potential functions for proteins.Potential of mean force of association of large hydrophobic particles: toward the nanoscale limit.Real-time monitoring of hydrophobic aggregation reveals a critical role of cooperativity in hydrophobic effect.Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: molecular dynamics study of a pair of methane molecules in water at various temperatures.Hydrophobic interactions in model enclosures from small to large length scales: non-additivity in explicit and implicit solvent models.Hydrophobic interaction and hydrogen-bond network for a methane pair in liquid water.Toward temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. II. Molecular dynamics study of pairs of different types of interactions in water at various temperaturesPairwise-additive hydrophobic effect for alkanes in waterDistributions of experimental protein structures on coarse-grained free energy landscapes.Structure and energetics of channel-forming protein-polysaccharide complexes inferred via computational statistical thermodynamics.Scoring protein interaction decoys using exposed residues (SPIDER): a novel multibody interaction scoring function based on frequent geometric patterns of interfacial residues.Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation.Systematic derivation of implicit solvent models for the study of polymer collapse.Simulating protein unfolding under pressure with a coarse-grained model.Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration
P2860
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P2860
Molecular simulation study of cooperativity in hydrophobic association
description
2000 nî lūn-bûn
@nan
2000年の論文
@ja
2000年学术文章
@wuu
2000年学术文章
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2000年学术文章
@zh-hans
2000年学术文章
@zh-my
2000年学术文章
@zh-sg
2000年學術文章
@yue
2000年學術文章
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2000年學術文章
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name
Molecular simulation study of cooperativity in hydrophobic association
@ast
Molecular simulation study of cooperativity in hydrophobic association
@en
type
label
Molecular simulation study of cooperativity in hydrophobic association
@ast
Molecular simulation study of cooperativity in hydrophobic association
@en
prefLabel
Molecular simulation study of cooperativity in hydrophobic association
@ast
Molecular simulation study of cooperativity in hydrophobic association
@en
P2093
P2860
P50
P356
P1433
P1476
Molecular simulation study of cooperativity in hydrophobic association
@en
P2093
D R Ripoll
H A Scheraga
P2860
P304
P356
10.1110/PS.9.6.1235
P577
2000-06-01T00:00:00Z