Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences

Shuzhe Wang, Jagna Witek, Gregory A. Landrum, Sereina Riniker. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. Journal of Chemical Information and Computer Sciences, 60(4):2044-2058, 2020. [doi]

Abstract

Abstract is missing.