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MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations.

Gustavo CárdenasJesús Lucia-TamudoHenar Mateo-delaFuenteVito F. PalmisanoNuria Anguita-OrtizLorena RuanoÁlvaro Pérez-BarciaSergio Díaz-TenderoMarcos MandadoJuan J. Nogueira
Published in: J. Comput. Chem. (2023)
Keyphrases
  • quantum mechanics
  • quantum computing
  • particle swarm optimisation
  • human decision making
  • quantum probability
  • decision theory
  • optimal solution
  • theoretical framework