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Sally R. Ellingson, Jeremy C. Smith and Jerome Baudry VinaMPI: Facilitating multiple receptor high-throughput virtual docking on high-performance computers Journal of Computational Chemistry 34

Version of Record online: 29 JUN 2013 | DOI: 10.1002/jcc.23367

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VinaMPI is an efficient parallelization of the program AutodockVina on supercomputing architectures that allows for massive ensemble docking (high number of target structures, high number of chemicals).

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