about
Biomolecular electrostatics and solvation: a computational perspectiveEnergetics of hydrogen bonds in peptides.Water in protein structure predictionEffects of nonpolar solutes on the thermodynamic response functions of aqueous mixtures.Structural basis of the 1H-nuclear magnetic resonance spectra of ethanol-water solutions based on multivariate curve resolution analysis of mid-infrared spectra.Folding a protein in a computer: an atomic description of the folding/unfolding of protein A.Ab initio molecular dynamics and quasichemical study of H+(aq)Hydrophobic hydration from small to large lengthscales: Understanding and manipulating the crossover.Hydration and mobility of HO-(aq)Electrostatic contribution from solvent in modulating single-walled carbon nanotube associationEffects of geometry and chemistry on hydrophobic solvation.Multibody correlations in the hydrophobic solvation of glycine peptidesAssessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume termsSolvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain.Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide foldingImplicit treatment of solvent dispersion forces in protein simulations.Dewetting-induced collapse of hydrophobic particles.Hydrophobicity of protein surfaces: Separating geometry from chemistryHierarchical organization of eglin c native state dynamics is shaped by competing direct and water-mediated interactions.Origin of parameter degeneracy and molecular shape relationships in geometric-flow calculations of solvation free energiesReference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules.Assessing the thermodynamic signatures of hydrophobic hydration for several common water models.Incomplete mixing versus clathrate-like structures: a molecular view on hydrophobicity in methanol-water mixtures.Structure of Met-enkephalin in explicit aqueous solution using replica exchange molecular dynamics.Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation.Weighted density functional theory of the solvophobic effect.Temperature and concentration effects on the solvophobic solvation of methane in aqueous salt solutions.Microscopic probing of the size dependence in hydrophobic solvation.Molecular modeling of ions at interfaces: exploring similarities to hydrophobic solvation through the lens of induced aqueous interfacial fluctuations.Entropy and enthalpy convergence of hydrophobic solvation beyond the hard-sphere limit.Transient cavities and the excess chemical potentials of hard-spheroid solutes in dipolar hard-sphere solvents.Role of attractive methane-water interactions in the potential of mean force between methane molecules in water.Effect of heavy water on the conformational stability of globular proteins.Structural anomalies of fluids: origins in second and higher coordination shells.Is water the universal solvent for life?An analysis of molecular packing and chemical association in liquid water using quasichemical theory.Comparison of hydration behavior and conformational preferences of the Trp-cage mini-protein in different rigid-body water models.Grand canonical Monte Carlo simulations of water in protein environments.Free energy of liquid water on the basis of quasichemical theory and ab initio molecular dynamics.A Single-Molecule Perspective on the Role of Solvent Hydrogen Bonds in Protein Folding and Chemical Reactions
P2860
Q26853115-41EC063C-AE7A-4753-B291-DAE470010BB6Q30336189-BD08D7D5-951A-4C46-AA1E-AA509D31ED39Q30339048-E468224D-7356-4427-BF3A-1A7BACFA6DE3Q33434247-BF4F9850-26C5-4E40-9C39-2FE98AFF00A9Q33540046-A0964A69-05C8-4C41-9BAF-DB12A4F5AE56Q33713679-FCE06302-B465-4BD1-A867-B2DC36974C8CQ33784280-2BE0B84B-9359-46C5-89EB-AB68BB2A6AB4Q33892414-AAC0D38A-324B-4100-8C0E-B84958E80C29Q33904074-095E1FE0-1DDB-4DD6-A9D9-1A3C7AF5CCE7Q34296471-D751800E-B173-4490-A37A-29F406C15462Q34383757-DCC20E40-4B3E-4B10-AF1A-D1500DF4830DQ34642787-A66DE8CB-1241-4E7A-B2F8-9510FA33043FQ34694062-CE019AB9-261F-4BA7-BBB9-55993887838CQ35955954-C9764B27-9DF9-425F-9206-AFF5603E9DBBQ36024304-60F6D814-CF07-4F03-882B-78437A42C22DQ36267062-D9B6EC6E-A386-4C9D-BD83-C179E099DFF0Q36347501-0385A0A2-48FC-446E-A38C-A16B93CADB3FQ36497190-FD91B679-4291-47F7-87A6-582141B1DFC1Q36825342-37016ED3-0E83-493E-BB8C-88487841B4CAQ37390899-859E49F6-8E07-4B52-9F4F-3950E87433C2Q38412711-8A9A96DA-7F9E-4954-AFB4-38942FFB4899Q38432179-A33ED0A0-25A7-4B40-A269-1E890745CFB5Q43814236-0F72AEAE-3133-4DF1-BDEA-ABDEDE00EB7FQ43864571-03425E5F-1CE3-4336-9292-AE59E2F9849FQ44127104-627BAD9B-D7DC-42F1-A4F5-6BF38148E364Q44953441-021B48C8-0601-43C6-A6FF-FA6183E1AB42Q45360553-921E9ECB-06F0-4D94-9F2B-96052521AA87Q46227769-988F3B17-57BA-4F9C-A853-2813A2072202Q46467527-E0BFC1AD-F3EF-4F97-802B-3C77D7F0258DQ46498905-F781C8AA-197A-476C-B219-623D25F589CBQ46777116-633A526D-CA59-4020-9B6E-7B87B43C2ABEQ47594700-D5040740-6A17-430A-94D0-44A7FB7879F1Q47606605-B95EF55D-CB09-425C-BACD-FDE1D7BDB2CCQ47669199-0215AC05-F9E5-4E8C-847E-B00497879E43Q48372722-E0165738-2A31-4433-A060-E11C4A9FCC85Q51177441-5D7D0559-2784-4ECC-9A28-6A3A7060D294Q51309269-A2B396C9-FEEF-418B-AD66-EF485DF003C0Q51988450-EF686F78-20EB-4202-A369-D2CCB3A1FBE9Q53850875-347A56FE-2852-4C7C-95D7-B0D820E843E2Q56836508-A36DD7E1-AF32-4A59-9A29-D3C39BF3F8EB
P2860
description
im August 2000 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в серпні 2000
@uk
name
New perspectives on hydrophobic effects
@en
New perspectives on hydrophobic effects
@nl
type
label
New perspectives on hydrophobic effects
@en
New perspectives on hydrophobic effects
@nl
prefLabel
New perspectives on hydrophobic effects
@en
New perspectives on hydrophobic effects
@nl
P2093
P1433
P1476
New perspectives on hydrophobic effects
@en
P2093
A.E. Garcı́a
L.R. Pratt
P304
P356
10.1016/S0301-0104(00)00115-4
P577
2000-08-01T00:00:00Z