PyBindingCurve, Simulation, and Curve Fitting to Complex Binding Systems at Equilibrium. - Steven R. Shave; Yan-Kai Chen 001; Nhan T. Pham; Manfred Auer (J. Chem. Inf. Model., 2021)

OpenFEPOPS: A Python implementation of the FEPOPS molecular similarity technique. - Yan-Kai Chen 001; Douglas R. Houston; Manfred Auer; Steven R. Shave (J. Open Source Softw., 2023)