Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations.

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Bibliographic Details
Title: Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations.
Authors: Rai BK, Sresht V, Yang Q, Unwalla R, Tu M, Mathiowetz AM, Bakken GA; Simulation and Modeling Sciences , Pfizer Worldwide Research and Development , Eastern Point Road , Groton , Connecticut 06340 , United States.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2019 Oct 28; Vol. 59 (10), pp. 4195-4208. Date of Electronic Publication: 2019 Oct 16.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1549-960X
DOI:10.1021/acs.jcim.9b00373