Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4. - Lea El-Khoury; Diogo Santos-Martins; Sukanya Sasmal; Jérôme Eberhardt; Giulia Bianco; Francesca Alessandra Ambrosio; Leonardo Solis-Vasquez; Andreas Koch 001; Stefano Forli; David L. Mobley (J. Comput. Aided Mol. Des., 2019)

D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitors. - Sukanya Sasmal; Lea El-Khoury; David L. Mobley (J. Comput. Aided Mol. Des., 2020)