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

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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
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  Data: Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase.
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  Data: <searchLink fieldCode="AU" term="%22Ohadi+D%22">Ohadi D</searchLink>; Johnson & Johnson Innovative Medicine, 1400 McKean Road, Spring House, Pennsylvania 19477, United States.<br /><searchLink fieldCode="AU" term="%22Kumar+K%22">Kumar K</searchLink>; Johnson & Johnson Innovative Medicine, 1400 McKean Road, Spring House, Pennsylvania 19477, United States.<br /><searchLink fieldCode="AU" term="%22Ravula+S%22">Ravula S</searchLink>; Johnson & Johnson Innovative Medicine, 3210 Merryfield Row, San Diego, California 92121, United States.<br /><searchLink fieldCode="AU" term="%22DesJarlais+RL%22">DesJarlais RL</searchLink>; Johnson & Johnson Innovative Medicine, 1400 McKean Road, Spring House, Pennsylvania 19477, United States.<br /><searchLink fieldCode="AU" term="%22Seierstad+MJ%22">Seierstad MJ</searchLink>; Johnson & Johnson Innovative Medicine, 3210 Merryfield Row, San Diego, California 92121, United States.<br /><searchLink fieldCode="AU" term="%22Shih+AY%22">Shih AY</searchLink>; Johnson & Johnson Innovative Medicine, 3210 Merryfield Row, San Diego, California 92121, United States.<br /><searchLink fieldCode="AU" term="%22Hack+MD%22">Hack MD</searchLink>; Johnson & Johnson Innovative Medicine, 3210 Merryfield Row, San Diego, California 92121, United States.<br /><searchLink fieldCode="AU" term="%22Schiffer+JM%22">Schiffer JM</searchLink>; Johnson & Johnson Innovative Medicine, 3210 Merryfield Row, San Diego, California 92121, United States.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2024 Dec 09; Vol. 64 (23), pp. 8859-8869. <i>Date of Electronic Publication: </i>2024 Nov 19.
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        Value: 10.1021/acs.jcim.4c01223
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      – Code: eng
        Text: English
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      – TitleFull: Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase.
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            NameFull: Ohadi D
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            – D: 09
              M: 12
              Text: 2024 Dec 09
              Type: published
              Y: 2024
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