Potential of mean force of water-proton bath and molecular dynamic simulation of proteins at constant pH.
about
Coupled molecular dynamics and continuum electrostatic method to compute the ionization pKa's of proteins as a function of pH. Test on a large set of proteins.Why a diaminopyrrolic tripodal receptor binds mannosides in acetonitrile but not in water?A comprehensive analysis of the computed tautomer fractions of the imidazole ring of histidines in Loligo vulgaris.
P2860
Potential of mean force of water-proton bath and molecular dynamic simulation of proteins at constant pH.
description
2012 nî lūn-bûn
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name
Potential of mean force of wat ...... on of proteins at constant pH.
@en
Potential of mean force of wat ...... on of proteins at constant pH.
@nl
type
label
Potential of mean force of wat ...... on of proteins at constant pH.
@en
Potential of mean force of wat ...... on of proteins at constant pH.
@nl
prefLabel
Potential of mean force of wat ...... on of proteins at constant pH.
@en
Potential of mean force of wat ...... on of proteins at constant pH.
@nl
P2860
P356
P1476
Potential of mean force of wat ...... on of proteins at constant pH.
@en
P2093
Yury N Vorobjev
P2860
P304
P356
10.1002/JCC.22909
P577
2012-01-25T00:00:00Z