Macroscopic electrostatic models for protonation states in proteins
about
PCE: web tools to compute protein continuum electrostaticsMechanisms underlying dioxygen reduction in laccases. Structural and modelling studies focusing on proton transfer.Analysis of the Active-Site Mechanism of Tyrosyl-DNA Phosphodiesterase I: A Member of the Phospholipase D SuperfamilyMolecular mechanisms for generating transmembrane proton gradientsGMCT : A Monte Carlo simulation package for macromolecular receptorsFactors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.Prediction of reversibly oxidized protein cysteine thiols using protein structure propertiesProtein structure analysis online.Influence of V54M mutation in giant muscle protein titin: a computational screening and molecular dynamics approach.Membrane environment modulates the pKa values of transmembrane helicesTheory of solvatochromic shifts in nonpolar solvents reveals a new spectroscopic ruleGlobal conformations of proteins as predicted from the modeling of their CZE mobility data.Blind prediction of host-guest binding affinities: a new SAMPL3 challenge.PHEPS: web-based pH-dependent Protein Electrostatics Server.Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism.Predicting extreme pKa shifts in staphylococcal nuclease mutants with constant pH molecular dynamicsUnfolding of beta-sheet proteins in SDSThermodynamic coupling of protonation and conformational equilibria in proteins: theory and simulation.Predicting nonspecific ion binding using DelPhi.Computation of pH-dependent binding free energies.A method to determine dielectric constants in nonhomogeneous systems: application to biological membranesConformational variability of organophosphorus hydrolase upon soman and paraoxon binding.Computational methods for biomolecular electrostatics.A fast and accurate computational approach to protein ionization.Incorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics.Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins.The pKa Cooperative: a collaborative effort to advance structure-based calculations of pKa values and electrostatic effects in proteins.Simulation of multihaem cytochromes.Implicit solvent methods for free energy estimation.IGF2BP1: a novel binding protein of p38 MAPK.Understanding photosynthetic light-harvesting: a bottom up theoretical approach.Spatial distribution of dielectric shielding in the interior of Pyrococcus furiosus rubredoxin as sampled in the subnanosecond timeframe by hydrogen exchange.Photosystem II does not possess a simple excitation energy funnel: time-resolved fluorescence spectroscopy meets theory.Conformational and oligomeric effects on the cysteine pK(a) of tryparedoxin peroxidasePDB_Hydro: incorporating dipolar solvents with variable density in the Poisson-Boltzmann treatment of macromolecule electrostatics.Coupling Constant pH Molecular Dynamics with Accelerated Molecular Dynamics.The pH-dependent conformational states of kyotorphin: a constant-pH molecular dynamics study.pKa predictions for proteins, RNAs, and DNAs with the Gaussian dielectric function using DelPhi pKa.The measured and calculated affinity of methyl- and methoxy-substituted benzoquinones for the Q(A) site of bacterial reaction centers.Structural and electrostatic asymmetry at the active site in typical and atypical peroxiredoxin dimers.
P2860
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P2860
Macroscopic electrostatic models for protonation states in proteins
description
2004 nî lūn-bûn
@nan
2004 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի մայիսին 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
Macroscopic electrostatic models for protonation states in proteins
@ast
Macroscopic electrostatic models for protonation states in proteins
@en
type
label
Macroscopic electrostatic models for protonation states in proteins
@ast
Macroscopic electrostatic models for protonation states in proteins
@en
prefLabel
Macroscopic electrostatic models for protonation states in proteins
@ast
Macroscopic electrostatic models for protonation states in proteins
@en
P356
P1476
Macroscopic electrostatic models for protonation states in proteins
@en
P2093
Donald Bashford
P304
P356
10.2741/1187
P577
2004-05-01T00:00:00Z