about
Water in cavity-ligand recognition.Determination of solvent content in cavities in IL-1beta using experimentally phased electron densityCrystallographic Study of Hydration of an Internal Cavity in Engineered Proteins with Buried Polar or Ionizable GroupsUse of experimental crystallographic phases to examine the hydration of polar and nonpolar cavities in T4 lysozymeAtomic hydration potentials using a Monte Carlo Reference State (MCRS) for protein solvation modeling.Statistical survey of the buried waters in the Protein Data Bank.Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.On the Dielectric "Constant" of Proteins: Smooth Dielectric Function for Macromolecular Modeling and Its Implementation in DelPhiPore hydration states of KcsA potassium channels in membranesA dry ligand-binding cavity in a solvated protein.Modelling studies of water in crystalline nanoporous aluminosilicates.Deprotonation by dehydration: the origin of ammonium sensing in the AmtB channel.CO migration pathways in cytochrome P450cam studied by molecular dynamics simulations.A review about nothing: are apolar cavities in proteins really empty?Dynamic hybrid materials for constitutional self-instructed membranes.Water in the polar and nonpolar cavities of the protein interleukin-1β.On the Modeling of Polar Component of Solvation Energy using Smooth Gaussian-Based Dielectric Function.Hydrophobic hydration from small to large lengthscales: Understanding and manipulating the crossover.Role of electrostatics in modulating hydrophobic interactions and barriers to hydrophobic assembly.How Can Hydrophobic Association Be Enthalpy Driven?Cooperative water filling of a nonpolar protein cavity observed by high-pressure crystallography and simulation.Electrostatic contribution from solvent in modulating single-walled carbon nanotube associationDynamics and energetics of hydrophobically confined water.Glu-286 rotation and water wire reorientation are unlikely the gating elements for proton pumping in cytochrome C oxidase.Role of protein cavities on unfolding volume change and on internal dynamics under pressure.Role of flexibility and polarity as determinants of the hydration of internal cavities and pockets in proteins.Two-State or Non-Two-State? An Excess Spectroscopy-based Approach to Differentiate the Existing Forms of Molecules in Liquids Mixtures.Enthalpy-entropy contributions to the potential of mean force of nanoscopic hydrophobic solutes.The dewetting transition and the hydrophobic effect.Interactions between amino acid side chains in cylindrical hydrophobic nanopores with applications to peptide stability.On the role of water density fluctuations in the inhibition of a proton channelA medicinal chemist's guide to molecular interactionsMolecular dynamics of water in the neighborhood of aquaporins.A double stranded metal-organic assembly accommodating a pair of water trimers in the host cavity and catalysing Glaser coupling.Ionic liquid clusters: structure, formation mechanism, and effect on the behavior of ionic liquids.Hybrid Cassie-Wenzel model for droplets on surfaces with nanoscale roughness.Molecular dynamics free energy calculations to assess the possibility of water existence in protein nonpolar cavitiesMolecular electrostatic potentials by systematic molecular fragmentation.Computation of binding free energy with molecular dynamics and grand canonical Monte Carlo simulations.Encaged molecules in external electric fields: A molecular "tug-of-war".
P2860
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P2860
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年学术文章
@wuu
2004年学术文章
@zh-cn
2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
@zh-sg
2004年學術文章
@yue
2004年學術文章
@zh
2004年學術文章
@zh-hant
name
Water clusters in nonpolar cavities.
@en
Water clusters in nonpolar cavities.
@nl
type
label
Water clusters in nonpolar cavities.
@en
Water clusters in nonpolar cavities.
@nl
prefLabel
Water clusters in nonpolar cavities.
@en
Water clusters in nonpolar cavities.
@nl
P2093
P2860
P356
P1476
Water clusters in nonpolar cavities.
@en
P2093
Jayendran C Rasaiah
Subramanian Vaitheeswaran
P2860
P304
17002-17005
P356
10.1073/PNAS.0407968101
P407
P577
2004-11-30T00:00:00Z