Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: Bimetallic binding site and structured waters
about
Study of interactions between metal ions and protein model compounds by energy decomposition analyses and the AMOEBA force field.Complexes of a Zn-metalloenzyme binding site with hydroxamate-containing ligands. A case for detailed benchmarkings of polarizable molecular mechanics/dynamics potentials when the experimental binding structure is unknown.Quantum-chemistry based calibration of the alkali metal cation series (Li+Cs+) for large-scale polarizable molecular mechanics/dynamics simulations
P2860
Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: Bimetallic binding site and structured waters
description
im September 2014 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published on 11 September 2014
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована у вересні 2014
@uk
name
Polarizable molecular mechanics studies of Cu
@nl
Polarizable molecular mechanic ...... ing site and structured waters
@en
type
label
Polarizable molecular mechanics studies of Cu
@nl
Polarizable molecular mechanic ...... ing site and structured waters
@en
prefLabel
Polarizable molecular mechanics studies of Cu
@nl
Polarizable molecular mechanic ...... ing site and structured waters
@en
P2093
P2860
P356
P1476
Polarizable molecular mechanic ...... ing site and structured waters
@en
P2093
Catherine Berthomieu
David Perahia
Dorothée Berthomieu
Nohad Gresh
P2860
P304
P356
10.1002/JCC.23724
P577
2014-09-11T00:00:00Z