The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems by Dmitri Fedorov and Kazuo Kitaura
English | May 14, 2009 | ISBN-10: 1420078488 | 288 pages | PDF | 6,5 MB
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 properties of biological systems and molecular clusters.