Advances in the calculation of binding free energies.
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DOI: 10.1016/j.sbi.2020.01.016
Abstract: In recent years, calculations of binding affinities from molecular simulations seem to have matured significantly. While the number of applications of such methods in drug design and biotechnology increases, the number of truly new methodological… read more here.
Keywords: free energies; calculation binding; calculation; binding free ... See more keywords