Application of the fragment molecular orbital method for determination of atomic charges on polypeptides

Chemical Physics Letters

Volumn 449, Issue 4-6, 2007, Pages 329-335

  Okiyama, Yoshio ^a   Watanabe, Hirofumi ^a,b   Fukuzawa, Kaori ^c   Nakano, Tatsuya ^b,d   Mochizuki, Yuji ^b,e   Ishikawa, Takeshi ^b,e   Tanaka, Shigenori ^a,b   Ebina, Kuniyoshi ^a  

^a KOBE UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c MIZUHO INFORMATION AND RESEARCH INSTITUTE   (Japan)

^d NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

^e RIKKYO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION ALGORITHMS; ELECTROSTATICS; ERROR ANALYSIS; LIGANDS; MOLECULAR ORBITALS;

ATOMIC CHARGES; ELECTROSTATIC POTENTIAL; FRAGMENT MOLECULAR ORBITAL (FMO) METHOD;

POLYPEPTIDES;

EID: 36348929989     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.10.066     Document Type: Article

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