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A compound QM/MM procedure: Comparative performance on a pyruvate formate-lyase model system.
Karmen Condic-Jurkic
Hendrik Zipse
David M. Smith
Published in:
J. Comput. Chem. (2010)
Keyphrases
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computational model
probabilistic model
statistical model
high level
probability distribution
theoretical framework
neural network model
optimization procedure
iterative procedure
evolutionary algorithm
mathematical model
simulation model
formal model