Structural properties of water: comparison of the SPC, SPCE, TIP4P, and TIP5P models of water.
about
Surface Propensities of the Self-Ions of WaterWATsite2.0 with PyMOL Plugin: Hydration Site Prediction and Visualization.Specific ions modulate diffusion dynamics of hydration water on lipid membrane surfacesThe Dependence of Amyloid-β Dynamics on Protein Force Fields and Water Models.Molecular recognition of agonist and antagonist for peroxisome proliferator-activated receptor-α studied by molecular dynamics simulations.The multiple roles of histidine in protein interactions.Spatial Decomposition of Translational Water-Water Correlation Entropy in Binding Pockets.Thermodynamic properties of liquid water: an application of a nonparametric approach to computing the entropy of a neat fluid.Correlations in liquid water for the TIP3P-Ewald, TIP4P-2005, TIP5P-Ewald, and SWM4-NDP models.Benchmarking the thermodynamic analysis of water molecules around a model beta sheet.Network analysis and percolation transition in hydrogen bonded clusters: nitric acid and water extracted by tributyl phosphate.Structural and dynamic evolution of the amphipathic N-terminus diversifies enzyme thermostability in the glycoside hydrolase family 12.Simulating water with rigid non-polarizable models: a general perspective.Assessing the accuracy of inhomogeneous fluid solvation theory in predicting hydration free energies of simple solutes.On the accuracy of one- and two-particle solvation entropies.Combining solvent thermodynamic profiles with functionality maps of the Hsp90 binding site to predict the displacement of water molecules.Entropy, diffusivity, and structural order in liquids with waterlike anomalies.Investigation of the binding network of IGF-I on the cavity surface of IGFBP4.Effect of pH on the structure, function, and stability of human calcium/calmodulin-dependent protein kinase IV: combined spectroscopic and MD simulation studies.Structure and dynamics of high- and low-density water molecules in the liquid and supercooled regimes.Estimation of pH effect on the structure and stability of kinase domain of human integrin-linked kinase.Structural correlation in water probed by hyper-Rayleigh scattering.A novel way to calculate the diffusivity of water in carbon nanotubes.An ab initio molecular dynamics study on hydrogen bonds between water molecules.Effect of simple solutes on the long range dipolar correlations in liquid water.Structural basis of pesticide detection by enzymatic biosensing: a molecular docking and MD simulation study.The self-assembly structure and the CO2-philicity of a hybrid surfactant in supercritical CO2: effects of hydrocarbon chain length.Molecular mechanics of the cooperative adsorption of a Pro-Hyp-Gly tripeptide on a hydroxylated rutile TiO2(110) surface mediated by calcium ions.Molecular dynamics study of wetting behavior of grafted thermo-responsive PNIPAAm brushes.The thermodynamic and ground state properties of the TIP4P water octamer.Entropy-based measure of structural order in water.Fluctuations of local electric field and dipole moments in water between metal walls.Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination.Effect of the hydroaffinity and topology of pore walls on the structure and dynamics of confined water.Small-Molecule Ligands as Potential GDNF Family Receptor Agonists.Molecular Dynamics Simulations of the Interactions between Glial Cell Line-Derived Neurotrophic Factor Family Receptor GFRα1 and Small-Molecule LigandsAsymmetric self-diffusion with orientation-dependence of water molecule in finite timescaleAnalysis of key parameters for molecular dynamics of pMHC moleculesCommunication: On the locality of Hydrogen bond networks at hydrophobic interfaces
P2860
Q28833811-017B627E-8A11-4279-9D75-C7BEE1E59FA4Q30401473-3E894665-366C-4346-9D6A-9532C5018E1EQ30740941-B715A12A-A495-4886-922F-850AFDD8B2D6Q30986025-890F0B8C-7637-4E6B-ACE3-30B745893D7DQ35170491-15CA6744-7564-41EE-9F6E-1D4078086B97Q36689701-639F3F74-FC5D-4DCE-B29C-9B22CE04813FQ36761394-F9E81A3F-C06D-47B7-B7B5-8C157FEE0343Q37394620-A1601CBD-67A1-4814-A68D-26623A8CB562Q38625060-A366FD5B-0775-4B16-8D16-667B533BB76FQ38642871-6CF7077A-D98D-4106-895F-D9803C6FEE29Q38832764-72F561CD-5A75-41D3-BC2F-2699F99B53C5Q38840970-CD484945-F76D-4498-80F7-5CD1FFB68111Q39706497-A54F9DB9-D09E-43A7-9C64-DBBEFA831112Q42213043-A774A768-11C6-436D-822B-B63FD817EF0EQ42254994-B72B2B81-B9E2-4776-B0C9-13AA33103098Q42263771-1AB1E658-0C36-4FE1-A736-368E4BE50002Q42605218-9CCF4150-F1A1-4FC6-870E-2A70995C888CQ43533430-24DD0C0C-B19D-448B-A86A-F5B3B6765CBCQ46216737-A2FC2341-F6B2-468F-A28D-7760E70849F0Q46446381-DDC98344-7813-4075-8985-734960934307Q47264014-61A62B02-5315-43D5-A10D-170BCAE38518Q47832584-EE85FE17-A720-48A9-8CEB-FCF96AD63D52Q48010359-F657B570-F4B1-4D78-A7DB-3A4EA8DD57DFQ49153678-74588000-C9B3-4DE2-81F0-968716FBBE3CQ50691671-2694041D-AD5A-4B78-9BDC-C066DA48F095Q51024632-EEBF7410-0CA9-4491-94AE-B43FEA1D38A3Q51142836-B79A5F79-90CC-4490-89A6-5311B92768DCQ51264661-6D5DCA28-B151-45FC-B2D2-D95FF9E49CE1Q51506662-EF8C4A63-E4E7-4264-BC8C-36014B581679Q51775070-C23B894C-48E6-4918-8590-7B2A5D9FC000Q52570970-7EE6A70D-D775-482D-9850-A87D6C9281D8Q53307872-0FD10354-59A0-4B5B-B811-45A24834996BQ53466960-8EE15BA4-A3E6-47C0-8F00-C93C3EF07352Q53916308-88755203-DDBD-48E4-A25F-B0C421984D52Q55715853-8EA7EDA6-DF9F-4247-8110-2EE1FC993A93Q57489646-C2D7ADA2-0002-4EFA-9167-3A9CED0CF33AQ58226012-89003629-228B-464F-BB92-EA8786290626Q58616537-3C3F9E9C-AFB6-4103-B0B8-42B4FD05DD00Q59223099-5DEB89F3-D60C-46C1-AC20-4DB50AE4CB74
P2860
Structural properties of water: comparison of the SPC, SPCE, TIP4P, and TIP5P models of water.
description
2005 nî lūn-bûn
@nan
2005 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Structural properties of water ...... 4P, and TIP5P models of water.
@ast
Structural properties of water ...... 4P, and TIP5P models of water.
@en
Structural properties of water ...... 4P, and TIP5P models of water.
@nl
type
label
Structural properties of water ...... 4P, and TIP5P models of water.
@ast
Structural properties of water ...... 4P, and TIP5P models of water.
@en
Structural properties of water ...... 4P, and TIP5P models of water.
@nl
prefLabel
Structural properties of water ...... 4P, and TIP5P models of water.
@ast
Structural properties of water ...... 4P, and TIP5P models of water.
@en
Structural properties of water ...... 4P, and TIP5P models of water.
@nl
P2860
P356
P1476
Structural properties of water ...... 4P, and TIP5P models of water.
@en
P2093
Jan Zielkiewicz
P2860
P304
P356
10.1063/1.2018637
P407
P577
2005-09-01T00:00:00Z