Enriched Conformational Sampling of DNA and Proteins with a Hybrid Hamiltonian Derived from the Protein Data Bank
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DOI: 10.3390/ijms19113405
Abstract: In this article, we present a method for the enhanced molecular dynamics simulation of protein and DNA systems called potential of mean force (PMF)-enriched sampling. The method uses partitions derived from the potentials of mean… read more here.
Keywords: protein; data bank; hybrid hamiltonian; method ... See more keywords