pK a measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments. - Mehtap Isik; Dorothy Levorse; Ariën S. Rustenburg; Ikenna E. Ndukwe; Heather Wang; Xiao Wang; Mikhail Y. Reibarkh; Gary E. Martin; Alexey A. Makarov; David L. Mobley; Timothy Rhodes; John D. Chodera (J. Comput. Aided Mol. Des., 2018)

Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen. - Ajay N. Jain; Ann E. Cleves; Qi Gao; Xiao Wang; Yizhou Liu; Edward C. Sherer; Mikhail Y. Reibarkh (J. Comput. Aided Mol. Des., 2019)