Vibrational subsystem analysis: A method for probing free energies and correlations in the harmonic limit.
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CHARMM: the biomolecular simulation programBridging between NMA and Elastic Network Models: Preserving All-Atom Accuracy in Coarse-Grained ModelsOptimal modeling of atomic fluctuations in protein crystal structures for weak crystal contact interactions.Computing the Free Energy along a Reaction Coordinate Using Rigid Body DynamicsComparative study of various normal mode analysis techniques based on partial Hessians.MSCALE: A General Utility for Multiscale Modeling.Correcting for the free energy costs of bond or angle constraints in molecular dynamics simulationsMultiple environment single system quantum mechanical/molecular mechanical (MESS-QM/MM) calculations. 1. Estimation of polarization energies.Separating the role of protein restraints and local metal-site interaction chemistry in the thermodynamics of a zinc finger proteinLightweight object oriented structure analysis: tools for building tools to analyze molecular dynamics simulations.Elastic Network Models are Robust to Variations in FormalismNormal mode analysis with molecular geometry restraints: bridging molecular mechanics and elastic modelsPIM: phase integrated method for normal mode analysis of biomolecules in a crystalline environmentComparing normal modes across different models and scales: Hessian reduction versus coarse-graining.The interplay of structure and dynamics: insights from a survey of HIV-1 reverse transcriptase crystal structures.Vibrational intensities in the mobile block Hessian approximation.Approximate normal mode analysis based on vibrational subsystem analysis with high accuracy and efficiency.Normal modes for large molecules with arbitrary link constraints in the mobile block Hessian approach.Analytic second derivatives of the energy in the fragment molecular orbital method.
P2860
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P2860
Vibrational subsystem analysis: A method for probing free energies and correlations in the harmonic limit.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Vibrational subsystem analysis ...... lations in the harmonic limit.
@en
Vibrational subsystem analysis ...... lations in the harmonic limit.
@nl
type
label
Vibrational subsystem analysis ...... lations in the harmonic limit.
@en
Vibrational subsystem analysis ...... lations in the harmonic limit.
@nl
prefLabel
Vibrational subsystem analysis ...... lations in the harmonic limit.
@en
Vibrational subsystem analysis ...... lations in the harmonic limit.
@nl
P2093
P2860
P356
P1476
Vibrational subsystem analysis ...... lations in the harmonic limit.
@en
P2093
An Ghysels
Bernard R Brooks
H Lee Woodcock
P2860
P304
P356
10.1063/1.3013558
P407
P577
2008-12-01T00:00:00Z