Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines

Xiaohua Zhang, Sergio E. Wong, Felice C. Lightstone. Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines. Journal of Computational Chemistry, 34(11):915-927, 2013. [doi]

Abstract

Abstract is missing.