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Refinado por: assunto: Life Sciences & Biomedicine remover assunto: Mathematical & Computational Biology remover
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Using simulation studies to evaluate statistical methods
Using simulation studies to evaluate statistical methods
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Using simulation studies to evaluate statistical methods

Morris, Tim P. ; White, Ian R. ; Crowther, Michael J.

Statistics in medicine, 2019-05, Vol.38 (11), p.2074-2102 [Periódico revisado por pares]

England: Wiley Subscription Services, Inc

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Projecting social contact matrices in 152 countries using contact surveys and demographic data
Projecting social contact matrices in 152 countries using contact surveys and demographic data
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Projecting social contact matrices in 152 countries using contact surveys and demographic data

Prem, Kiesha ; Cook, Alex R ; Jit, Mark Halloran, Betz

PLoS computational biology, 2017-09, Vol.13 (9), p.e1005697-e1005697 [Periódico revisado por pares]

United States: Public Library of Science

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3
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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4
Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations
Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations
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Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations

Singh, Rahul ; Bhardwaj, Vijay Kumar ; Das, Pralay ; Bhattacherjee, Dhananjay ; Zyryanov, Grigory V. ; Purohit, Rituraj

Computers in biology and medicine, 2022-07, Vol.146, p.105572-105572, Article 105572 [Periódico revisado por pares]

United States: Elsevier Ltd

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5
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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6
Water models for biomolecular simulations
Water models for biomolecular simulations
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Water models for biomolecular simulations

Onufriev, Alexey V. ; Izadi, Saeed

Wiley interdisciplinary reviews. Computational molecular science, 2018-03, Vol.8 (2), p.e1347-n/a [Periódico revisado por pares]

Hoboken, USA: Wiley Periodicals, Inc

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7
Sample size for binary logistic prediction models: Beyond events per variable criteria
Sample size for binary logistic prediction models: Beyond events per variable criteria
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Sample size for binary logistic prediction models: Beyond events per variable criteria

van Smeden, Maarten ; Moons, Karel GM ; de Groot, Joris AH ; Collins, Gary S ; Altman, Douglas G ; Eijkemans, Marinus JC ; Reitsma, Johannes B

Statistical methods in medical research, 2019-08, Vol.28 (8), p.2455-2474 [Periódico revisado por pares]

London, England: SAGE Publications

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8
Molecular simulations in drug delivery: Opportunities and challenges
Molecular simulations in drug delivery: Opportunities and challenges
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Molecular simulations in drug delivery: Opportunities and challenges

Katiyar, Ratna S. ; Jha, Prateek K.

Wiley interdisciplinary reviews. Computational molecular science, 2018-07, Vol.8 (4), p.e1358-n/a [Periódico revisado por pares]

Hoboken, USA: Wiley Periodicals, Inc

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9
Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic approach for Tackling COVID-19
Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic approach for Tackling COVID-19
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Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic approach for Tackling COVID-19

Parihar, Arpana ; Sonia, Zannatul Ferdous ; Akter, Farjana ; Ali, Md Ackas ; Hakim, Fuad Taufiqul ; Hossain, Md Shahadat

Computers in biology and medicine, 2022-06, Vol.145, p.105468-105468, Article 105468 [Periódico revisado por pares]

United States: Elsevier Ltd

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10
De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations
De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations
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De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations

Arshia, Amir Hossein ; Shadravan, Shayan ; Solhjoo, Aida ; Sakhteman, Amirhossein ; Sami, Ashkan

Computers in biology and medicine, 2021-12, Vol.139, p.104967-104967, Article 104967 [Periódico revisado por pares]

United States: Elsevier Ltd

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