about
Computational methods in drug discoveryNon-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamineChemical characteristics of dimer interfaces in the legume lectin familyStructural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozymePositive contribution of hydration structure on the surface of human lysozyme to the conformational stabilityHydration structure of human lysozyme investigated by molecular dynamics simulation and cryogenic X-ray crystal structure analyses: on the correlation between crystal water sites, solvent density, and solvent dipoleThe role of hydrogen bonding via interfacial water molecules in antigen-antibody complexation. The HyHEL-10-HEL interactionDetermination of solvent content in cavities in IL-1beta using experimentally phased electron densityUse of experimental crystallographic phases to examine the hydration of polar and nonpolar cavities in T4 lysozymeDecomposition of protein tryptophan fluorescence spectra into log-normal components. III. Correlation between fluorescence and microenvironment parameters of individual tryptophan residuesBound water at protein-protein interfaces: partners, roles and hydrophobic bubbles as a conserved motifThe 1.8-A crystal structure of human tear lipocalin reveals an extended branched cavity with capacity for multiple ligandsThe structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to bindingProtein pockets: inventory, shape, and comparisonWater-protein interactions in the molten-globule state of carbonic anhydrase b: an NMR spin-diffusion studyInteraction of human SRY protein with DNA: a molecular dynamics study.Recognition complex between the HMG domain of LEF-1 and its cognate DNA studied by molecular dynamics simulations with explicit solvation.SCOWLP: a web-based database for detailed characterization and visualization of protein interfaces.A review about nothing: are apolar cavities in proteins really empty?The role of water structure in conformational changes of nucleic acids in ambient and high-pressure conditions.Water in the polar and nonpolar cavities of the protein interleukin-1β.Thermodynamic analyses reveal role of water release in epitope recognition by a monoclonal antibody against the human guanylyl cyclase C receptor.WaterLOGSY NMR experiments in conjunction with molecular-dynamics simulations identify immobilized water molecules that bridge peptide mimic MDWNMHAA to anticarbohydrate antibody SYA/J6.Characterization of the sources of protein-ligand affinity: 1-sulfonato-8-(1')anilinonaphthalene binding to intestinal fatty acid binding protein.Grand canonical ensemble Monte Carlo simulation of the dCpG/proflavine crystal hydrate.Hydrogen bonding stabilizes globular proteins.Hydration studies on the archaeal protein Sso7d using NMR measurements and MD simulationsLocating and characterizing binding sites on proteins.Significance of bound water to local chain conformations in protein crystals.Hydration of nucleic acid fragments: comparison of theory and experiment for high-resolution crystal structures of RNA, DNA, and DNA-drug complexes.Free energy landscapes of encounter complexes in protein-protein associationAssessing accumulated solvent near a macromolecular solute by preferential interaction coefficientsMinimizing frustration by folding in an aqueous environmentOn the specificity of heparin/heparan sulfate binding to proteins. Anion-binding sites on antithrombin and thrombin are fundamentally different.Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions.Correlated structural kinetics and retarded solvent dynamics at the metalloprotease active siteDirect Observation of Nanosecond Water Exchange Dynamics at a Protein Metal SiteCluster analysis of consensus water sites in thrombin and trypsin shows conservation between serine proteases and contributions to ligand specificity.Site-specific measurement of water dynamics in the substrate pocket of ketosteroid isomerase using time-resolved vibrational spectroscopyBinding of buried structural water increases the flexibility of proteins.
P2860
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P2860
description
1993 nî lūn-bûn
@nan
1993年の論文
@ja
1993年論文
@yue
1993年論文
@zh-hant
1993年論文
@zh-hk
1993年論文
@zh-mo
1993年論文
@zh-tw
1993年论文
@wuu
1993年论文
@zh
1993年论文
@zh-cn
name
Water: now you see it, now you don't.
@en
type
label
Water: now you see it, now you don't.
@en
prefLabel
Water: now you see it, now you don't.
@en
P1433
P1476
Water: now you see it, now you don't.
@en
P2093
P304
P356
10.1016/0969-2126(93)90011-5
P577
1993-12-01T00:00:00Z