quantum mechanics Archives - Pharmacelera | Pushing the limits of computational chemistry

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By Nicola Scafuri and Ana Caballero A larger number of ligands in the virtual screening library increases the chances of identifying ligands

By Carlos Cruz and Ana Caballero The success of a ligand-based virtual screening campaign relies on their molecular descriptors, in this sense,

By Tiziana Ginex and Fernando Martin The ever-increasing accessible chemical space opens the door to the search for new chemical matter for