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Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
Paulsen, Janet L; Yu, Haoyu S; Sindhikara, Dan; Wang, Lingle; Appleby, Todd; Villaseñor, Armando G; Schmitz, Uli; Shivakumar, Devleena.
Affiliation
  • Paulsen JL; Schrödinger, Inc., 120 West 45th Street, 17th Floor, New York, New York 10036, United States.
  • Yu HS; Schrödinger, Inc., 120 West 45th Street, 17th Floor, New York, New York 10036, United States.
  • Sindhikara D; Schrödinger, Inc., 120 West 45th Street, 17th Floor, New York, New York 10036, United States.
  • Wang L; Schrödinger, Inc., 120 West 45th Street, 17th Floor, New York, New York 10036, United States.
  • Appleby T; Gilead, 333 Lakeside Drive, Foster City, California 94404, United States.
  • Villaseñor AG; Gilead, 333 Lakeside Drive, Foster City, California 94404, United States.
  • Schmitz U; Gilead, 333 Lakeside Drive, Foster City, California 94404, United States.
  • Shivakumar D; Gilead, 333 Lakeside Drive, Foster City, California 94404, United States.
J Chem Inf Model ; 60(7): 3489-3498, 2020 07 27.
Article in En | MEDLINE | ID: mdl-32539379
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Discovery Type of study: Observational_studies / Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2020 Type: Article Affiliation country: United States
Fulltext
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PubMed Links
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Discovery Type of study: Observational_studies / Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2020 Type: Article Affiliation country: United States