The Fragment Molecular Orbital Method

The Fragment Molecular Orbital Method
Author :
Publisher : CRC Press
Total Pages : 304
Release :
ISBN-10 : 9781420078497
ISBN-13 : 1420078496
Rating : 4/5 (496 Downloads)
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Book Synopsis The Fragment Molecular Orbital Method by : Dmitri Fedorov

Download or read book The Fragment Molecular Orbital Method written by Dmitri Fedorov and published by CRC Press. This book was released on 2009-05-14 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecular Orbital (FMO) method in 1999. Today, the FMO method can be applied to the study of whole proteins and protein-ligand interactions, and is extremely effective in calculating the propertie


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