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Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase.

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Bibliographic Details
Title:	Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase.
Authors:	Ohadi D; Johnson & Johnson Innovative Medicine, 1400 McKean Road, Spring House, Pennsylvania 19477, United States., Kumar K; Johnson & Johnson Innovative Medicine, 1400 McKean Road, Spring House, Pennsylvania 19477, United States., Ravula S; Johnson & Johnson Innovative Medicine, 3210 Merryfield Row, San Diego, California 92121, United States., DesJarlais RL; Johnson & Johnson Innovative Medicine, 1400 McKean Road, Spring House, Pennsylvania 19477, United States., Seierstad MJ; Johnson & Johnson Innovative Medicine, 3210 Merryfield Row, San Diego, California 92121, United States., Shih AY; Johnson & Johnson Innovative Medicine, 3210 Merryfield Row, San Diego, California 92121, United States., Hack MD; Johnson & Johnson Innovative Medicine, 3210 Merryfield Row, San Diego, California 92121, United States., Schiffer JM; Johnson & Johnson Innovative Medicine, 3210 Merryfield Row, San Diego, California 92121, United States.
Source:	Journal of chemical information and modeling [J Chem Inf Model] 2024 Dec 09; Vol. 64 (23), pp. 8859-8869. Date of Electronic Publication: 2024 Nov 19.
Publication Type:	Journal Article
Journal Info:	Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database:	MEDLINE Ultimate

Description
ISSN:	1549-960X
DOI:	10.1021/acs.jcim.4c01223