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Refinado por: assunto: Life Sciences & Biomedicine remover assunto: Mathematical & Computational Biology remover Base de dados/Biblioteca: PLoS_OA刊 remover
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OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
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OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

Eastman, Peter ; Swails, Jason ; Chodera, John D ; McGibbon, Robert T ; Zhao, Yutong ; Beauchamp, Kyle A ; Wang, Lee-Ping ; Simmonett, Andrew C ; Harrigan, Matthew P ; Stern, Chaya D ; Wiewiora, Rafal P ; Brooks, Bernard R ; Pande, Vijay S Gentleman, Robert

PLoS computational biology, 2017-07, Vol.13 (7), p.e1005659-e1005659 [Periódico revisado por pares]

United States: Public Library of Science

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2
Polarizable water model for the coarse-grained MARTINI force field
Polarizable water model for the coarse-grained MARTINI force field
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Polarizable water model for the coarse-grained MARTINI force field

Yesylevskyy, Semen O ; Schäfer, Lars V ; Sengupta, Durba ; Marrink, Siewert J Levitt, Michael

PLoS computational biology, 2010-06, Vol.6 (6), p.e1000810-e1000810 [Periódico revisado por pares]

United States: Public Library of Science

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3
OpenSim Moco: Musculoskeletal optimal control
OpenSim Moco: Musculoskeletal optimal control
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OpenSim Moco: Musculoskeletal optimal control

Dembia, Christopher L ; Bianco, Nicholas A ; Falisse, Antoine ; Hicks, Jennifer L ; Delp, Scott L Campbell, Kenneth S.

PLoS computational biology, 2020-12, Vol.16 (12), p.e1008493-e1008493 [Periódico revisado por pares]

United States: Public Library of Science

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4
Efficient consideration of coordinated water molecules improves computational protein-protein and protein-ligand docking discrimination
Efficient consideration of coordinated water molecules improves computational protein-protein and protein-ligand docking discrimination
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Efficient consideration of coordinated water molecules improves computational protein-protein and protein-ligand docking discrimination

Pavlovicz, Ryan E ; Park, Hahnbeom ; DiMaio, Frank ; Singh, Mona ; Wallner, Bjorn Wallner, Björn

PLoS computational biology, 2020-09, Vol.16 (9), p.e1008103-e1008103 [Periódico revisado por pares]

San Francisco: Public Library of Science

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5
Reactive oxygen species production by forward and reverse electron fluxes in the mitochondrial respiratory chain
Reactive oxygen species production by forward and reverse electron fluxes in the mitochondrial respiratory chain
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Reactive oxygen species production by forward and reverse electron fluxes in the mitochondrial respiratory chain

Selivanov, Vitaly A ; Votyakova, Tatyana V ; Pivtoraiko, Violetta N ; Zeak, Jennifer ; Sukhomlin, Tatiana ; Trucco, Massimo ; Roca, Josep ; Cascante, Marta Beard, Daniel A.

PLoS computational biology, 2011-03, Vol.7 (3), p.e1001115-e1001115 [Periódico revisado por pares]

United States: Public Library of Science

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6
BioAFMviewer: An interactive interface for simulated AFM scanning of biomolecular structures and dynamics
BioAFMviewer: An interactive interface for simulated AFM scanning of biomolecular structures and dynamics
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BioAFMviewer: An interactive interface for simulated AFM scanning of biomolecular structures and dynamics

Amyot, Romain ; Flechsig, Holger Schneidman-Duhovny, Dina

PLoS computational biology, 2020-11, Vol.16 (11), p.e1008444-e1008444 [Periódico revisado por pares]

United States: Public Library of Science

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7
Biophysically detailed mathematical models of multiscale cardiac active mechanics
Biophysically detailed mathematical models of multiscale cardiac active mechanics
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Biophysically detailed mathematical models of multiscale cardiac active mechanics

Regazzoni, Francesco ; Dedè, Luca ; Quarteroni, Alfio Beard, Daniel A

PLoS computational biology, 2020-10, Vol.16 (10), p.e1008294-e1008294 [Periódico revisado por pares]

United States: Public Library of Science

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8
Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme
Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme
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Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme

Mondal, Jagannath ; Ahalawat, Navjeet ; Pandit, Subhendu ; Kay, Lewis E ; Vallurupalli, Pramodh van der Spoel, David

PLoS computational biology, 2018-05, Vol.14 (5), p.e1006180-e1006180 [Periódico revisado por pares]

United States: Public Library of Science

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9
Detailed simulations of cell biology with Smoldyn 2.1
Detailed simulations of cell biology with Smoldyn 2.1
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Detailed simulations of cell biology with Smoldyn 2.1

Andrews, Steven S ; Addy, Nathan J ; Brent, Roger ; Arkin, Adam P Sauro, Herbert M.

PLoS computational biology, 2010-03, Vol.6 (3), p.e1000705-e1000705 [Periódico revisado por pares]

United States: Public Library of Science

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10
Modeling of DNA binding to the condensin hinge domain using molecular dynamics simulations guided by atomic force microscopy
Modeling of DNA binding to the condensin hinge domain using molecular dynamics simulations guided by atomic force microscopy
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Modeling of DNA binding to the condensin hinge domain using molecular dynamics simulations guided by atomic force microscopy

Koide, Hiroki ; Kodera, Noriyuki ; Bisht, Shveta ; Takada, Shoji ; Terakawa, Tsuyoshi MacKerell, Alexander

PLoS computational biology, 2021-07, Vol.17 (7), p.e1009265-e1009265 [Periódico revisado por pares]

United States: Public Library of Science

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