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Refinado por: materia: Biology eliminar materia: Computer Simulation eliminar materia: Life Sciences & Biomedicine eliminar materia: Mathematical & Computational Biology eliminar
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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
Material Type:
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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 [Revista revisada por pares]

United States: Public Library of Science

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2
Biomolecular Simulations: Methods and Protocols
Biomolecular Simulations: Methods and Protocols
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Biomolecular Simulations: Methods and Protocols

Bonomi, Massimiliano ; Camilloni, Carlo Bonomi, Massimiliano ; Camilloni, Carlo

New York, NY: Springer New York 2019

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3
Simulation of the undiseased human cardiac ventricular action potential: model formulation and experimental validation
Simulation of the undiseased human cardiac ventricular action potential: model formulation and experimental validation
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Simulation of the undiseased human cardiac ventricular action potential: model formulation and experimental validation

O'Hara, Thomas ; Virág, László ; Varró, András ; Rudy, Yoram McCulloch, Andrew D.

PLoS computational biology, 2011-05, Vol.7 (5), p.e1002061-e1002061 [Revista revisada por pares]

United States: Public Library of Science

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4
Simulation of calcium signaling in fine astrocytic processes: Effect of spatial properties on spontaneous activity
Simulation of calcium signaling in fine astrocytic processes: Effect of spatial properties on spontaneous activity
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Simulation of calcium signaling in fine astrocytic processes: Effect of spatial properties on spontaneous activity

Denizot, Audrey ; Arizono, Misa ; Nägerl, U Valentin ; Soula, Hédi ; Berry, Hugues Jolivet, Renaud Blaise

PLoS computational biology, 2019-08, Vol.15 (8), p.e1006795-e1006795 [Revista revisada por pares]

United States: Public Library of Science

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5
Learning black- and gray-box chemotactic PDEs/closures from agent based Monte Carlo simulation data
Learning black- and gray-box chemotactic PDEs/closures from agent based Monte Carlo simulation data
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Learning black- and gray-box chemotactic PDEs/closures from agent based Monte Carlo simulation data

Lee, Seungjoon ; Psarellis, Yorgos M. ; Siettos, Constantinos I. ; Kevrekidis, Ioannis G.

Journal of mathematical biology, 2023-07, Vol.87 (1), p.15-15, Article 15 [Revista revisada por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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6
In silico ADMET and molecular docking study on searching potential inhibitors from limonoids and triterpenoids for COVID-19
In silico ADMET and molecular docking study on searching potential inhibitors from limonoids and triterpenoids for COVID-19
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In silico ADMET and molecular docking study on searching potential inhibitors from limonoids and triterpenoids for COVID-19

Vardhan, Seshu ; Sahoo, Suban K.

Computers in biology and medicine, 2020-09, Vol.124, p.103936-103936, Article 103936 [Revista revisada por pares]

United States: Elsevier Ltd

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7
Cerebral aneurysm flow diverter modeled as a thin inhomogeneous porous medium in hemodynamic simulations
Cerebral aneurysm flow diverter modeled as a thin inhomogeneous porous medium in hemodynamic simulations
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Cerebral aneurysm flow diverter modeled as a thin inhomogeneous porous medium in hemodynamic simulations

Abdehkakha, Armin ; Hammond, Adam L. ; Patel, Tatsat R. ; Siddiqui, Adnan H. ; Dargush, Gary F. ; Meng, Hui

Computers in biology and medicine, 2021-12, Vol.139, p.104988-104988, Article 104988 [Revista revisada por pares]

United States: Elsevier Ltd

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8
Combining experiments and simulations using the maximum entropy principle
Combining experiments and simulations using the maximum entropy principle
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Combining experiments and simulations using the maximum entropy principle

Boomsma, Wouter ; Ferkinghoff-Borg, Jesper ; Lindorff-Larsen, Kresten Levitt, Michael

PLoS computational biology, 2014-02, Vol.10 (2), p.e1003406-e1003406 [Revista revisada por pares]

United States: Public Library of Science

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9
Deciphering interactions in moving animal groups
Deciphering interactions in moving animal groups
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Deciphering interactions in moving animal groups

Gautrais, Jacques ; Ginelli, Francesco ; Fournier, Richard ; Blanco, Stéphane ; Soria, Marc ; Chaté, Hugues ; Theraulaz, Guy Levin, Simon A.

PLoS computational biology, 2012-09, Vol.8 (9), p.e1002678-e1002678 [Revista revisada por pares]

United States: Public Library of Science

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10
Structure and dynamics of the membrane-bound cytochrome P450 2C9
Structure and dynamics of the membrane-bound cytochrome P450 2C9
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Structure and dynamics of the membrane-bound cytochrome P450 2C9

Cojocaru, Vlad ; Balali-Mood, Kia ; Sansom, Mark S P ; Wade, Rebecca C Halpert, James R.

PLoS Computational Biology, 7(8):e1002152, 2011-08, Vol.7 (8), p.e1002152-e1002152 [Revista revisada por pares]

United States: Public Library of Science

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