Anncolvar: Approximation of Complex Collective Variables by Artificial Neural Networks for Analysis and Biasing of Molecular Simulations
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DOI: 10.3389/fmolb.2019.00025
Abstract: The state of a molecular system can be described in terms of collective variables. These low-dimensional descriptors of molecular structure can be used to monitor the state of the simulation, to calculate free energy profiles… read more here.
Keywords: analysis; approximation complex; complex collective; collective variables ... See more keywords