Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-Based Pose Scoring and Physical Force Field-Based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening.

Jui-Hua HsiehShuangye YinXiang S. WangShubin LiuNikolay V. DokholyanAlexander Tropsha
Published in: J. Chem. Inf. Model. (2012)