"AMBER Drug Discovery Boost Tools: Automated Workflow for Production ..."

Abir Ganguly et al. (2022)

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DOI: 10.1021/ACS.JCIM.2C00879

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type: Journal Article

metadata version: 2023-02-10

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Abir Ganguly, Hsu-Chun Tsai, Mario Fernández-Pendás, Tai-Sung Lee, Timothy J. Giese, Darrin M. York:
AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA). J. Chem. Inf. Model. 62(23): 6069-6083 (2022)

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