Force fields including charge transfer and local polarization effects: Application to proteins containing multi/heavy metal ions.

Force fields including charge transfer and local polarization effects: Application to proteins containing multi/heavy metal ions.

Item
http://www.wikidata.org/entity/Q30370135
Metal Ion Modeling Using Classical MechanicsParameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit water.Parametrization of DFTB3/3OB for magnesium and zinc for chemical and biological applicationsDFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard Parameters.Perspective: Quantum mechanical methods in biochemistry and biophysics.Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of Ions.Plasmonics for the study of metal ion-protein interactions.Polarization effects in molecular mechanical force fieldsA Transferable Non-bonded Pairwise Force Field to Model Zinc Interactions in Metalloproteins.Thiol versus hydroxamate as zinc binding group in HDAC inhibition: An ab initio QM/MM molecular dynamics study.Balancing the Interactions of Mg2+ in Aqueous Solution and with Nucleic Acid Moieties For a Polarizable Force Field Based on the Classical Drude Oscillator Model.Structural-dynamical investigation of the ZnuA histidine-rich loop: involvement in zinc management and transport.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.
P2860

Force fields including charge transfer and local polarization effects: Application to proteins containing multi/heavy metal ions.

Item
http://www.wikidata.org/entity/Q30370135
description
2009 nî lūn-bûn
@nan
2009 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Force fields including charge ...... aining multi/heavy metal ions.
@ast
Force fields including charge ...... aining multi/heavy metal ions.
@en
type
label
Force fields including charge ...... aining multi/heavy metal ions.
@ast
Force fields including charge ...... aining multi/heavy metal ions.
@en
prefLabel
Force fields including charge ...... aining multi/heavy metal ions.
@ast
Force fields including charge ...... aining multi/heavy metal ions.
@en
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Force fields including charge ...... taining multi/heavy metal ions
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P698