Stabilization of internal charges in a protein: water penetration or conformational change?
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Biomolecular electrostatics and solvation: a computational perspectiveHigh Apparent Dielectric Constant Inside a Protein Reflects Structural Reorganization Coupled to the Ionization of an Internal AspCrystallographic Study of Hydration of an Internal Cavity in Engineered Proteins with Buried Polar or Ionizable GroupspH replica-exchange method based on discrete protonation statespKa of residue 66 in Staphylococal nuclease. I. Insights from QM/MM simulations with conventional sampling.A dry ligand-binding cavity in a solvated protein.Structural origins of high apparent dielectric constants experienced by ionizable groups in the hydrophobic core of a proteinConstant pH Molecular Dynamics in Explicit Solvent with Enveloping Distribution Sampling and Hamiltonian ExchangeCooperative water filling of a nonpolar protein cavity observed by high-pressure crystallography and simulation.The influence of amino acid protonation states on molecular dynamics simulations of the bacterial porin OmpF.Emerging methods for ensemble-based virtual screening.Thermodynamic coupling of protonation and conformational equilibria in proteins: theory and simulation.Role of flexibility and polarity as determinants of the hydration of internal cavities and pockets in proteins.Conformational consequences of ionization of Lys, Asp, and Glu buried at position 66 in staphylococcal nucleaseConformational relaxation and water penetration coupled to ionization of internal groups in proteins.Rapid calculation of protein pKa values using Rosetta.Hydration dynamics in a partially denatured ensemble of the globular protein human alpha-lactalbumin investigated with molecular dynamics simulations.Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energiesHydrophobic core mutations associated with cataract development in mice destabilize human gammaD-crystallin.Hydration of the folding transition state ensemble of a protein.Aggregation of Trp > Glu point mutants of human gamma-D crystallin provides a model for hereditary or UV-induced cataract.The pH dependence of staphylococcal nuclease stability is incompatible with a three-state denaturation model.Towards a quantitative understanding of protein hydration and volumetric properties.The water R1(ω) NMRD profiles of a hydrated protein from molecular dynamics simulation.Blind, one-eyed, or eagle-eyed? pKa calculations during blind predictions with staphylococcal nuclease.MCCE analysis of the pKas of introduced buried acids and bases in staphylococcal nuclease.
P2860
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P2860
Stabilization of internal charges in a protein: water penetration or conformational change?
description
2004 nî lūn-bûn
@nan
2004 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
Stabilization of internal char ...... tion or conformational change?
@ast
Stabilization of internal char ...... tion or conformational change?
@en
type
label
Stabilization of internal char ...... tion or conformational change?
@ast
Stabilization of internal char ...... tion or conformational change?
@en
prefLabel
Stabilization of internal char ...... tion or conformational change?
@ast
Stabilization of internal char ...... tion or conformational change?
@en
P2093
P2860
P1433
P1476
Stabilization of internal char ...... tion or conformational change?
@en
P2093
Bertrand García-Moreno E
Jamie L Schlessman
Vladimir P Denisov
P2860
P304
P356
10.1529/BIOPHYSJ.104.048454
P407
P50
P577
2004-09-17T00:00:00Z