Robust Free Energy Perturbation Protocols for Creating Molecules in Solution.
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| Title: | Robust Free Energy Perturbation Protocols for Creating Molecules in Solution. |
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| Authors: | Cabeza de Vaca I; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States., Zarzuela R; Department of Physics and Astronomy , University of California , Los Angeles , California 90095 , United States., Tirado-Rives J; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States., Jorgensen WL; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States. |
| Source: | Journal of chemical theory and computation [J Chem Theory Comput] 2019 Jul 09; Vol. 15 (7), pp. 3941-3948. Date of Electronic Publication: 2019 Jun 24. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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