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Molecular Dynamics
Definition 1
The science of simulating the motions of a system of particles. (Karplus and Petsko) (NCI Thesaurus)
Definition 2
computer technique for predicting conformation of protein or other macromolecule by rotating all bonds so as to minimize free energy; in looser parlance, term may refer to intramolecular motion. (NIH CRISP Thesaurus)
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