Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function. - Prasad Chaskar; Vincent Zoete; Ute F. Röhrig (J. Chem. Inf. Model., 2014)

Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape. - Vincent Zoete; Thierry Schüpbach; Christophe Bovigny; Prasad Chaskar; Antoine Daina; Ute F. Röhrig; Olivier Michielin (J. Comput. Chem., 2016)

On-the-Fly QM/MM Docking with Attracting Cavities. - Prasad Chaskar; Vincent Zoete; Ute F. Röhrig (J. Chem. Inf. Model., 2017)