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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.
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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PubType: Academic Journal
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  Data: <searchLink fieldCode="AU" term="%22Yang+Q%22">Yang Q</searchLink>; Medicine Design, Worldwide Research & Development, Pfizer Inc. 1 Portland St, Cambridge, Massachusetts, 02139.<br /><searchLink fieldCode="AU" term="%22Burchett+W%22">Burchett W</searchLink>; Early Clinical Development, Worldwide Research & Development, Pfizer Inc. 445 Eastern Point Rd, Groton, Connecticut, 06340.<br /><searchLink fieldCode="AU" term="%22Steeno+GS%22">Steeno GS</searchLink>; Early Clinical Development, Worldwide Research & Development, Pfizer Inc. 445 Eastern Point Rd, Groton, Connecticut, 06340.<br /><searchLink fieldCode="AU" term="%22Liu+S%22">Liu S</searchLink>; XtalPi Inc. One Broadway, Cambridge, Massachusetts, 02142.<br /><searchLink fieldCode="AU" term="%22Yang+M%22">Yang M</searchLink>; XtalPi Inc. One Broadway, Cambridge, Massachusetts, 02142.<br /><searchLink fieldCode="AU" term="%22Mobley+DL%22">Mobley DL</searchLink>; Department of Pharmaceutical Sciences and Department of Chemistry, University of California, 3134B Natural Sciences I, Irvine, California, 92697.<br /><searchLink fieldCode="AU" term="%22Hou+X%22">Hou X</searchLink>; Medicine Design, Worldwide Research & Development, Pfizer Inc. 1 Portland St, Cambridge, Massachusetts, 02139.
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  Data: <searchLink fieldCode="JN" term="%229878362%22">Journal of computational chemistry</searchLink> [J Comput Chem] 2020 Jan 30; Vol. 41 (3), pp. 247-257. <i>Date of Electronic Publication: </i>2019 Nov 13.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Wiley%22">Wiley </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>9878362 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1096-987X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2201928651%22">01928651 </searchLink><i>NLM ISO Abbreviation: </i>J Comput Chem <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1002/jcc.26095
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              Text: 2020 Jan 30
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