Enhanced and effective conformational sampling of protein molecular systems for their free energy landscapes.
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Enhanced conformational sampling to visualize a free-energy landscape of protein complex formationRealistic sampling of amino acid geometries for a multipolar polarizable force fieldMulticanonical Molecular Dynamics Simulations of the N-terminal Domain of Protein L9.Agonist binding by the β2-adrenergic receptor: an effect of receptor conformation on ligand association-dissociation characteristicsSampling of Protein Folding Transitions: Multicanonical Versus Replica Exchange Molecular DynamicsmyPresto/omegagene: a GPU-accelerated molecular dynamics simulator tailored for enhanced conformational sampling methods with a non-Ewald electrostatic scheme.Enhancement of canonical sampling by virtual-state transitions.High-resolution modeling of antibody structures by a combination of bioinformatics, expert knowledge, and molecular simulations.Enhanced sampling simulations to construct free-energy landscape of protein-partner substrate interaction.Revisiting antibody modeling assessment for CDR-H3 loop.Virtual states introduced for overcoming entropic barriers in conformational space.Free-energy differences between states with different conformational ensembles.Phosphorylation of an intrinsically disordered region of Ets1 shifts a multi-modal interaction ensemble to an auto-inhibitory state.Multi-dimensional virtual system introduced to enhance canonical sampling.Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking.A virtual-system coupled multicanonical molecular dynamics simulation: principles and applications to free-energy landscape of protein-protein interaction with an all-atom model in explicit solvent.Multidimensional free energy surface of unfolding of HP-36: microscopic origin of ruggedness.Adaptive lambda square dynamics simulation: an efficient conformational sampling method for biomolecules.Influence of various parameters in the replica-exchange molecular dynamics method: Number of replicas, replica-exchange frequency, and thermostat coupling time constant
P2860
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P2860
Enhanced and effective conformational sampling of protein molecular systems for their free energy landscapes.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Enhanced and effective conform ...... their free energy landscapes.
@en
type
label
Enhanced and effective conform ...... their free energy landscapes.
@en
prefLabel
Enhanced and effective conform ...... their free energy landscapes.
@en
P2093
P2860
P1433
P1476
Enhanced and effective conform ...... their free energy landscapes.
@en
P2093
Jinzen Ikebe
Junichi Higo
Narutoshi Kamiya
P2860
P2888
P356
10.1007/S12551-011-0063-6
P577
2012-01-11T00:00:00Z
P5875
P6179
1044933264