High-throughput binding affinity calculations at extreme scales

Dakka, Jumana; Turilli, Matteo; Wright, David; Zasada, Stefan; Balasubramanian, Vivek; Wan, Shunzhou; Coveney, Pete; Jha, Shantenu

doi:https://doi.org/10.1186/s12859-018-2506-6

URI

https://hdl.handle.net/20.500.14417/4181

DOI

https://doi.org/10.1186/s12859-018-2506-6

Citación

Dakka, J., Turilli, M., Wright, D. W., Zasada, S. J., Balasubramanian, V., Wan, S., ... & Jha, S. (2018). High-throughput binding affinity calculations at extreme scales. BMC bioinformatics, 19(Suppl 18), 482. https://doi.org/10.1186/s12859-018-2506-6