Chemists from the Institute of Organic and Analytical Chemistry (ICOA, CNRS / University of Orléans) and the Center for Molecular Biophysics (CBM, CNRS) propose a new in silico model, which describes the duration of interactions between a molecule and its biological target. Published in the Journal of Chemical Information and Modeling, this work has successfully predicted effects on a protein linked to certain cancers and helps to reduce doses and thus toxicity.
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