Monte Carlo on the manifold and MD refinement for binding pose prediction of protein-ligand complexes: 2017 D3R Grand Challenge. - Mikhail Ignatov; Cong Liu 031; Andrey Alekseenko; Zhuyezi Sun; Dzmitry Padhorny; Sergei Kotelnikov; Andrey M. Kazennov; Ivan Grebenkin; Yaroslav Kholodov; Istvan Kolosvari; Alberto Pérez; Ken A. Dill; et al. (J. Comput. Aided Mol. Des., 2019)

Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4. - Sergei Kotelnikov; Andrey Alekseenko; Cong Liu 031; Mikhail Ignatov; Dzmitry Padhorny; Emiliano Brini; Mark Lukin; Evangelos A. Coutsias; Ken A. Dill; Dima Kozakov (J. Comput. Aided Mol. Des., 2020)

MELD-Bracket Ranks Binding Affinities of Diverse Sets of Ligands. - Sridip Parui; James C. Robertson; Sandeep Somani; Gary Tresadern; Cong Liu 031; Ken A. Dill (J. Chem. Inf. Model., 2023)