A Transferable Non-bonded Pairwise Force Field to Model Zinc Interactions in Metalloproteins.
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Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methodsMetal Ion Modeling Using Classical MechanicsAutoDock4(Zn): an improved AutoDock force field for small-molecule docking to zinc metalloproteinsParametrization of DFTB3/3OB for magnesium and zinc for chemical and biological applicationsSimulations of allosteric motions in the zinc sensor CzrA.Structures and free energy landscapes of aqueous zinc(II)-bound amyloid-β(1-40) and zinc(II)-bound amyloid-β(1-42) with dynamics.Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent.Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of Ions.Development and Application of a Nonbonded Cu(2+) Model That Includes the Jahn-Teller EffectThiol versus hydroxamate as zinc binding group in HDAC inhibition: An ab initio QM/MM molecular dynamics study.Characterization of the polymorphic states of copper(II)-bound Aβ(1-16) peptides by computational simulations.Force Field Parametrization of Metal Ions from Statistical Learning Techniques.Prediction of Protein-compound Binding Energies from Known Activity Data: Docking-score-based Method and its Applications.A simple but effective modeling strategy for structural properties of non-heme Fe(II) sites in proteins: test of force field models and application to proteins in the AlkB family.Developing accurate molecular mechanics force fields for conjugated molecular systems.
P2860
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P2860
A Transferable Non-bonded Pairwise Force Field to Model Zinc Interactions in Metalloproteins.
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
2011年论文
@zh
2011年论文
@zh-cn
name
A Transferable Non-bonded Pair ...... teractions in Metalloproteins.
@en
A Transferable Non-bonded Pair ...... teractions in Metalloproteins.
@nl
type
label
A Transferable Non-bonded Pair ...... teractions in Metalloproteins.
@en
A Transferable Non-bonded Pair ...... teractions in Metalloproteins.
@nl
prefLabel
A Transferable Non-bonded Pair ...... teractions in Metalloproteins.
@en
A Transferable Non-bonded Pair ...... teractions in Metalloproteins.
@nl
P2093
P2860
P356
P1476
A Transferable Non-bonded Pair ...... teractions in Metalloproteins.
@en
P2093
Yingkai Zhang
Zexing Cao
P2860
P304
P356
10.1021/CT100525R
P577
2011-02-01T00:00:00Z