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"High-throughput Binding Affinity Calculations at Extreme Scales."
Jumana Dakka et al. (2017)
- 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. CoRR abs/1712.09168 (2017)
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