<b>Quantum Mechanics for Ligand Design, Binding Affinities, Toxicity Risk and Process Chemistry: Successes and Obstacles</b>
<p dir="ltr">Quantum Mechanics calculations provide insights into weak non-classical interactions of molecules with itself, the condensed phase or with protein or DNA targets, that are not properly handled by force-field methods, like for instance weak dispersive interactions, strain...
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2025
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