Prediction of Aptamer-Small-Molecule Interactions Using Metastable States from Multiple Independent Molecular Dynamics Simulations
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DOI: 10.1021/acs.jcim.2c00734
Abstract: Understanding aptamer-ligand interactions is necessary to rationally design aptamer-based systems. Commonly used in silico tools have proven to be accurate to predict RNA and DNA oligonucleotide tertiary structures. However, given the complexity of nucleic acids,… read more here.
Keywords: small molecule; metastable states; aptamer small; prediction aptamer ... See more keywords