The Fragment Molecular Orbital Method

Released on by Dmitri Fedorov
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  • The Fragment Molecular Orbital Method Book Detail

  • Author : Dmitri Fedorov
  • Release Date : 2009-05-14
  • Publisher : CRC Press
  • Genre : Science
  • Pages : 304
  • ISBN 13 : 1420078496
  • File Size : 84,84 MB
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The Fragment Molecular Orbital Method by Dmitri Fedorov PDF Summary

Book Description: 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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