Development of the four-body corrected fragment molecular orbital (FMO4) method

Chemical Physics Letters

Volumn 523, Issue , 2012, Pages 128-133

  Nakano, Tatsuya ^a,b   Mochizuki, Yuji ^b,c   Yamashita, Katsumi ^d   Watanabe, Chiduru ^b   Fukuzawa, Kaori ^b,e   Segawa, Katsunori ^a   Okiyama, Yoshio ^b   Tsukamoto, Takayuki ^b,e   Tanaka, Shigenori ^f  

^a NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

^b INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^c RIKKYO UNIVERSITY   (Japan)

^d NEC CORPORATION   (Japan)

^e MIZUHO INFORMATION AND RESEARCH INSTITUTE   (Japan)

^f KOBE UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURACY TEST; AMINO ACID RESIDUES; CHIGNOLIN; FRAGMENT MOLECULAR ORBITAL; HIV-1 PROTEASE; MO CALCULATIONS; REFERENCE VALUES; SECOND ORDERS; SIDE-CHAINS; TOTAL ENERGY;

AMINO ACIDS; THREE DIMENSIONAL;

MOLECULAR ORBITALS;

EID: 84855904082     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.12.004     Document Type: Article

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