Jumana Dakka, Matteo Turilli, David W. Wright, Stefan J. Zasada, Vivek Balasubramanian, Shunzhou Wan, Peter V. Coveney, Shantenu Jha. High-throughput binding affinity calculations at extreme scales. BMC Bioinformatics, 19-S(18):33-45, 2018. [doi]
Abstract is missing.