Discovering Collective Variables of Molecular Transitions via Genetic Algorithms and Neural Networks
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DOI: 10.1021/acs.jctc.0c00981
Abstract: With the continual improvement of computing hardware and algorithms, simulations have become a powerful tool for understanding all sorts of (bio)molecular processes. To handle the large simulation data sets and to accelerate slow, activated transitions,… read more here.
Keywords: network; neural networks; cvs; genetic algorithms ... See more keywords