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.

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.

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http://www.wikidata.org/entity/Q50992415
Enhanced conformational sampling to visualize a free-energy landscape of protein complex formationmyPresto/omegagene: a GPU-accelerated molecular dynamics simulator tailored for enhanced conformational sampling methods with a non-Ewald electrostatic scheme.Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling.Simple, yet powerful methodologies for conformational sampling of proteins.Enhancement of canonical sampling by virtual-state transitions.Enhanced sampling simulations to construct free-energy landscape of protein-partner substrate interaction.Dynamics of the Extended String-Like Interaction of TFIIE with the p62 Subunit of TFIIHRevisiting antibody modeling assessment for CDR-H3 loop.Multi-scale ensemble modeling of modular proteins with intrinsically disordered linker regions: application to p53.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.
P2860

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.

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http://www.wikidata.org/entity/Q50992415
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2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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name
A virtual-system coupled multi ...... tom model in explicit solvent.
@en
A virtual-system coupled multi ...... tom model in explicit solvent.
@nl
type
label
A virtual-system coupled multi ...... tom model in explicit solvent.
@en
A virtual-system coupled multi ...... tom model in explicit solvent.
@nl
prefLabel
A virtual-system coupled multi ...... tom model in explicit solvent.
@en
A virtual-system coupled multi ...... tom model in explicit solvent.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
A virtual-system coupled multi ...... tom model in explicit solvent.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698