Title: "Message Passing Interface and Multithreading Hybrid for Parallel Molecular Docking of Large Databases on Petascale High Performance Computing Machines"

Authors: Xiaohua Zhang, Sergio E. Wong, and Felice C. Lightstone*

Affiliation: Biosciences & Biotechnology Division, Physical and Life Sciences Directorate, Lawrence Livermore National Lab, Livermore, CA 94550

Journal: Journal of Computational Chemistry DOI: 10.1002/jcc.23214

The full paper can be found on J. Comput. Chem. Website. DOI: 10.1002/jcc.23214