Free energies of binding of R- and S-propranolol to wild-type and F483A mutant cytochrome P450 2D6 from molecular dynamics simulations
about
Molecular dynamics studies of modular polyketide synthase ketoreductase stereospecificity.Cytochrome P450 structure-function: insights from molecular dynamics simulations.Rationalization of stereospecific binding of propranolol to cytochrome P450 2D6 by free energy calculations.Entropic and enthalpic contributions to stereospecific ligand binding from enhanced sampling methods.Towards automated binding affinity prediction using an iterative linear interaction energy approach.Assessing the stability of free-energy perturbation calculations by performing variations in the method.Structure-Based Methods for Predicting the Sites and Products of MetabolismComputational prediction of drug binding and rationalisation of selectivity towards cytochromes P450
P2860
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P2860
Free energies of binding of R- and S-propranolol to wild-type and F483A mutant cytochrome P450 2D6 from molecular dynamics simulations
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Free energies of binding of R- ...... molecular dynamics simulations
@en
Free energies of binding of R- ...... molecular dynamics simulations
@nl
type
label
Free energies of binding of R- ...... molecular dynamics simulations
@en
Free energies of binding of R- ...... molecular dynamics simulations
@nl
prefLabel
Free energies of binding of R- ...... molecular dynamics simulations
@en
Free energies of binding of R- ...... molecular dynamics simulations
@nl
P2093
P2860
P1476
Free energies of binding of R- ...... molecular dynamics simulations
@en
P2093
Barbara M A van Vugt-Lussenburg
Jan N M Commandeur
Nico P E Vermeulen
Peter H J Keizers
P2860
P2888
P304
P356
10.1007/S00249-006-0126-Y
P577
2007-02-27T00:00:00Z