Protein Structure Validation Derives a Smart Conformational Search in a Physically Relevant Configurational Subspace
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DOI: 10.1021/acs.jcim.2c01173
Abstract: Since proteins perform biological functions through their dynamic properties, molecular dynamics (MD) simulation is a sophisticated strategy for investigating their functions. Analyses of trajectories provide statistical information about a specific protein as a free-energy landscape… read more here.
Keywords: configurational subspace; search physically; subspace; gerbil ... See more keywords