Renormalizing SMD: the renormalization approach and its use in long time simulations and accelerated PMF calculations of macromolecules.
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Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsSimulating the function of sodium/proton antiportersMultiscale Modeling of Biological Functions: From Enzymes to Molecular Machines (Nobel Lecture)Modeling and simulation of ion channels.Realistic simulations of the coupling between the protomotive force and the mechanical rotation of the F0-ATPase.Multiscale modeling of biological functions.Converting structural information into an allosteric-energy-based picture for elongation factor Tu activation by the ribosome.Prechemistry versus preorganization in DNA replication fidelity.Dominant folding pathways of a WW domain.Electrostatic origin of the unidirectionality of walking myosin V motors.Coarse-grained simulations of the gating current in the voltage-activated Kv1.2 channel.Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasksSimulating electrostatic energies in proteins: perspectives and some recent studies of pKas, redox, and other crucial functional properties.An adaptive bias - hybrid MD/kMC algorithm for protein folding and aggregation.Prechemistry barriers and checkpoints do not contribute to fidelity and catalysis as long as they are not rate limiting
P2860
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P2860
Renormalizing SMD: the renormalization approach and its use in long time simulations and accelerated PMF calculations of macromolecules.
description
2010 nî lūn-bûn
@nan
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
2010年论文
@zh
2010年论文
@zh-cn
name
Renormalizing SMD: the renorma ...... alculations of macromolecules.
@en
type
label
Renormalizing SMD: the renorma ...... alculations of macromolecules.
@en
prefLabel
Renormalizing SMD: the renorma ...... alculations of macromolecules.
@en
P2860
P356
P1476
Renormalizing SMD: the renorma ...... alculations of macromolecules.
@en
P2093
Anatoly Dryga
P2860
P304
12720-12728
P356
10.1021/JP1056122
P407
P577
2010-10-01T00:00:00Z