By Patrick Bultinck, Hans De Winter, Wilfried Langenaeker, Jan P. Tollenare
Staring at computational chemistry's confirmed worth to the advent of recent medicinal drugs, this reference deals the strategies most often used by and academia for ligand layout. that includes contributions from greater than fifty pre-eminent scientists, Computational Medicinal Chemistry for Drug Discovery surveys molecular constitution computation, intermolecular habit, ligand-receptor interplay, and modeling responding to marketplace calls for in its choice and authoritative therapy of themes. The publication examines molecular mechanics, semi-empirical equipment, wave function-based quantum chemistry, density practical concept, 3D constitution new release, and hybrid methods.
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Computational Medicinal Chemistry for Drug Discovery by Patrick Bultinck, Hans De Winter, Wilfried Langenaeker, Jan P. Tollenare