Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability.
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| Title: | Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability. |
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| Authors: | Yang Q; Medicine Design, Worldwide Research & Development, Pfizer Inc. 1 Portland St, Cambridge, Massachusetts, 02139., Burchett W; Early Clinical Development, Worldwide Research & Development, Pfizer Inc. 445 Eastern Point Rd, Groton, Connecticut, 06340., Steeno GS; Early Clinical Development, Worldwide Research & Development, Pfizer Inc. 445 Eastern Point Rd, Groton, Connecticut, 06340., Liu S; XtalPi Inc. One Broadway, Cambridge, Massachusetts, 02142., Yang M; XtalPi Inc. One Broadway, Cambridge, Massachusetts, 02142., Mobley DL; Department of Pharmaceutical Sciences and Department of Chemistry, University of California, 3134B Natural Sciences I, Irvine, California, 92697., Hou X; Medicine Design, Worldwide Research & Development, Pfizer Inc. 1 Portland St, Cambridge, Massachusetts, 02139. |
| Source: | Journal of computational chemistry [J Comput Chem] 2020 Jan 30; Vol. 41 (3), pp. 247-257. Date of Electronic Publication: 2019 Nov 13. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Wiley Country of Publication: United States NLM ID: 9878362 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1096-987X (Electronic) Linking ISSN: 01928651 NLM ISO Abbreviation: J Comput Chem Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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