Computational Medicinal Chemistry for Drug Discovery

Computational Medicinal Chemistry for Drug Discovery

Tekijä: Patrick Bultinck, Hans De Winter, Wilfried Langenaeker, Jan P. Tollenare
Kustantaja: CRC Press
Painos: 1
Julkaisuvuosi: 2003
ISBN: 9780824747749

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Maksa Klarnalla
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Observing computational chemistry's proven value to the introduction of new medicines, Computational Medicinal Chemistry for Drug Discovery offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than 50 preeminent scientists, this book surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling. It also examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.

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