Rigid Base Biasing in Molecular Dynamics Enables Enhanced Sampling of DNA Conformations.
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DOI: 10.1021/acs.jctc.2c00889
Abstract: All-atom simulations have become increasingly popular to study conformational and dynamical properties of nucleic acids as they are accurate and provide high spatial and time resolutions. This high resolution, however, comes at a heavy computational… read more here.
Keywords: dna; rigid base; base biasing; mechanics ... See more keywords