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Published in 2020 at "Biophysical journal"
DOI: 10.1016/j.bpj.2020.07.038
Abstract: Quantifying chemical substituent contributions to ligand-binding free energies is challenging due to nonadditive effects. Protein allostery is a frequent cause of nonadditivity, but the underlying allosteric mechanisms often remain elusive. Here, we propose a general…
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Keywords:
ligand binding;
contributions protein;
mechanisms nonadditive;
allosteric mechanisms ... See more keywords