"Drug Design in the Exascale Era: A Perspective from Massively Parallel ..."

Bharath Raghavan et al. (2023)

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DOI: 10.1021/ACS.JCIM.3C00557

access: closed

type: Journal Article

metadata version: 2024-08-04

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Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, Davide Mandelli, Laura Bonati, Marco de Vivo, Paolo Carloni:
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations. J. Chem. Inf. Model. 63(12): 3647-3658 (2023)

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