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Drug Design in the Exascale Era: A Perspective from Massive..:
Raghavan, Bharath
;
Paulikat, Mirko
;
Ahmad, Katya
...
Journal of Chemical Information and Modeling. 63 (2023) 12 - p. 3647-3658 , 2023
Link:
https://doi.org/10.1021/acs.jcim.3c00557
RT Journal T1
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations
UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.3c00557&Exemplar=1&LAN=DE A1 Raghavan, Bharath A1 Paulikat, Mirko A1 Ahmad, Katya A1 Callea, Lara A1 Rizzi, Andrea A1 Ippoliti, Emiliano A1 Mandelli, Davide A1 Bonati, Laura A1 De Vivo, Marco A1 Carloni, Paolo PB American Chemical Society (ACS) YR 2023 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 63 IS 12 SP 3647 OP 3658 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.3c00557 DO https://doi.org/10.1021/acs.jcim.3c00557 SF ELIB - SuUB Bremen
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