pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
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Proton-binding sites of acid-sensing ion channel 1A coarse-grained molecular model for glycosaminoglycans: application to chondroitin, chondroitin sulfate, and hyaluronic acid.How photosynthetic reaction centers control oxidation power in chlorophyll pairs P680, P700, and P870Yeast chorismate mutase in the R state: simulations of the active siteCHARMM: the biomolecular simulation programPCE: web tools to compute protein continuum electrostaticsH++: a server for estimating pKas and adding missing hydrogens to macromoleculesPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsBiomolecular electrostatics and solvation: a computational perspectiveProteins as strongly correlated protonic systemsInter-domain communication mechanisms in an ABC importer: a molecular dynamics study of the MalFGK2E complexHigh Apparent Dielectric Constant Inside a Protein Reflects Structural Reorganization Coupled to the Ionization of an Internal AspDetermination of the NMR structure of Gln25-ribonuclease T1Study of electrostatic potential surface distribution of wild-type plastocyanin Synechocystis solution structure determined by homonuclear NMRA buried lysine that titrates with a normal pKa: Role of conformational flexibility at the protein-water interface as a determinant of pKavaluesCrystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: SUBSTRATE CLEAVAGE, ENOLATE STABILIZATION, AND SUBSTRATE SPECIFICITYProtein Conformational Gating of Enzymatic Activity in Xanthine OxidoreductaseX-ray Structure and Molecular Dynamics Simulations of Endoglucanase 3 from Trichoderma harzianum: Structural Organization and Substrate Recognition by Endoglucanases That Lack Cellulose Binding ModuleNuclear Magnetic Resonance Structure of a Major Lens Protein, Human γC-Crystallin: Role of the Dipole Moment in Protein SolubilityComputational, pulse-radiolytic, and structural investigations of lysine-136 and its role in the electrostatic triad of human Cu,Zn superoxide dismutaseEffective Born radii in the generalized Born approximation: the importance of being perfectRole of conformational heterogeneity in domain swapping and adapter function of the Cks proteinsMolecular mechanisms for generating transmembrane proton gradientsNative-state conformational dynamics of GART: a regulatory pH-dependent coil-helix transition examined by electrostatic calculationsProton transfer dynamics of GART: the pH-dependent catalytic mechanism examined by electrostatic calculationsHow thioredoxin dissociates its mixed disulfideExploring O2 diffusion in A-type cytochrome c oxidases: molecular dynamics simulations uncover two alternative channels towards the binuclear siteA Structural Model of the Human α7 Nicotinic Receptor in an Open ConformationpH replica-exchange method based on discrete protonation statesProtein-Ligand Electrostatic Binding Free Energies from Explicit and Implicit SolvationProtonation of interacting residues in a protein by a Monte Carlo method: application to lysozyme and the photosynthetic reaction center of Rhodobacter sphaeroidesGMCT : A Monte Carlo simulation package for macromolecular receptorsComputational protein design: the Proteus software and selected applications.Electrostatic calculations of amino acid titration and electron transfer, Q-AQB-->QAQ-B, in the reaction centerMolecular dynamics simulations of the bacterial outer membrane protein FhuA: a comparative study of the ferrichrome-free and bound statesOmpA: a pore or not a pore? Simulation and modeling studies.Protein structure and dynamics in nonaqueous solvents: insights from molecular dynamics simulation studies.Proton binding to proteins: a free-energy component analysis using a dielectric continuum model.Protein dielectric constants determined from NMR chemical shift perturbationsFactors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.
P2860
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P2860
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
description
1990 nî lūn-bûn
@nan
1990 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
1990 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
1990年の論文
@ja
1990年論文
@yue
1990年論文
@zh-hant
1990年論文
@zh-hk
1990年論文
@zh-mo
1990年論文
@zh-tw
1990年论文
@wuu
name
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
@ast
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
@en
type
label
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
@ast
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
@en
prefLabel
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
@ast
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
@en
P3181
P356
P1433
P1476
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
@en
P2093
Donald Bashford
P304
10219-10225
P3181
P356
10.1021/BI00496A010
P407
P577
1990-11-01T00:00:00Z