High-throughput Binding Affinity Calculations at Extreme Scales

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Authors: Dakka, Jumana; Turilli, Matteo; Wright, David W; Zasada, Stefan J; Balasubramanian, Vivek; Wan, Shunzhou; Coveney, Peter V; Jha, Shantenu

Journal title: BioMed Central

Journal number: 1

Journal publisher: Springer Nature

Published year: 2018