Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations
, Authors:
Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, Davide Mandelli, Laura Bonati, Marco De Vivo, Paolo Carloni
Version 1 posted 29 March 2023
349
Downloads