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. |
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| 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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