Force field optimization using dynamics and ensemble averaged data: vibrational spectra and relaxation in bound MbCO.
about
A fluctuating quantum model of the CO vibration in carboxyhemoglobin.A generalized reactive force field for nonlinear hydrogen bonds: hydrogen dynamics and transfer in malonaldehyde.Vibrational ladder climbing in carboxy-hemoglobin: effects of the protein environment.Toward force fields for atomistic simulations of iridium-containing complexes.A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field.Quantum-chemistry based calibration of the alkali metal cation series (Li+Cs+) for large-scale polarizable molecular mechanics/dynamics simulations
P2860
Force field optimization using dynamics and ensemble averaged data: vibrational spectra and relaxation in bound MbCO.
description
2010 nî lūn-bûn
@nan
2010 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի մարտին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Force field optimization using ...... and relaxation in bound MbCO.
@ast
Force field optimization using ...... and relaxation in bound MbCO.
@en
Force field optimization using ...... and relaxation in bound MbCO.
@nl
type
label
Force field optimization using ...... and relaxation in bound MbCO.
@ast
Force field optimization using ...... and relaxation in bound MbCO.
@en
Force field optimization using ...... and relaxation in bound MbCO.
@nl
prefLabel
Force field optimization using ...... and relaxation in bound MbCO.
@ast
Force field optimization using ...... and relaxation in bound MbCO.
@en
Force field optimization using ...... and relaxation in bound MbCO.
@nl
P356
P1476
Force field optimization using ...... and relaxation in bound MbCO.
@en
P2093
Markus Meuwly
Michael Devereux
P304
P356
10.1021/CI9004404
P577
2010-03-01T00:00:00Z