"Comprehensive Assessment of Torsional Strain in Crystal Structures of ..."

Brajesh K. Rai et al. (2019)

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DOI: 10.1021/ACS.JCIM.9B00373

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type: Journal Article

metadata version: 2022-04-01

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Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Raymond J. Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken:
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations. J. Chem. Inf. Model. 59(10): 4195-4208 (2019)

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