المؤلفون: Ehrman JN; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Shumilov K; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Jenkins AJ; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Kasper JM; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Vitova T; Institute for Nuclear Waste Disposal (INE), Karlsruhe Institute of Technology, P.O. Box 3640, Karlsruhe D-76021, Germany., Batista ER; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Yang P; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Li X; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.

المصدر: JACS Au [JACS Au] 2024 Mar 06; Vol. 4 (3), pp. 1134-1141. Date of Electronic Publication: 2024 Mar 06 (Print Publication: 2024).

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101775714 Publication Model: eCollection Cited Medium: Internet ISSN: 2691-3704 (Electronic) Linking ISSN: 26913704 NLM ISO Abbreviation: JACS Au Subsets: PubMed not MEDLINE

المؤلفون: Ehrman JN; Department of Pharmaceutical Sciences, University of California, Irvine, Irvine, CA, 92697, USA., Lim VT; Department of Chemistry, University of California, Irvine, Irvine, CA, 92697, USA., Bannan CC; Department of Chemistry, University of California, Irvine, Irvine, CA, 92697, USA., Thi N; Department of Pharmaceutical Sciences, University of California, Irvine, Irvine, CA, 92697, USA., Kyu DY; Department of Pharmaceutical Sciences, University of California, Irvine, Irvine, CA, 92697, USA., Mobley DL; Department of Pharmaceutical Sciences, University of California, Irvine, Irvine, CA, 92697, USA. dmobley@mobleylab.org.; Department of Chemistry, University of California, Irvine, Irvine, CA, 92697, USA. dmobley@mobleylab.org.

المصدر: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2021 Mar; Vol. 35 (3), pp. 271-284. Date of Electronic Publication: 2021 Jan 28.

نوع المنشور: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S.

بيانات الدورية: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE

مواضيع طبية MeSH: Aza Compounds/*chemistry , Organic Chemicals/*chemistry, Databases, Chemical ; Models, Molecular ; Molecular Conformation ; Physical Phenomena ; Quantum Theory ; Software ; Structure-Activity Relationship ; Thermodynamics