MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment. - Zheng Zheng 002; Oleg Y. Borbulevych; Hao Liu; Jianpeng Deng; Roger I. Martin; Lance M. Westerhoff (J. Chem. Inf. Model., 2020)

The critical role of QM/MM X-ray refinement and accurate tautomer/protomer determination in structure-based drug design. - Oleg Y. Borbulevych; Roger I. Martin; Lance M. Westerhoff (J. Comput. Aided Mol. Des., 2021)