Theoretical study of intramolecular interaction energies during dynamics simulations of oligopeptides by the fragment molecular orbital-Hamiltonian algorithm method

Journal of Chemical Physics

Volumn 122, Issue 9, 2005, Pages

  Ishimoto, Takayoshi ^a,b   Tokiwa, Hiroaki ^c   Teramae, Hiroyuki ^d   Nagashima, Umpei ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c RIKKYO UNIVERSITY   (Japan)

^d JOSAI UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

FINITE SYSTEMS; INTERACTION ENERGIES; MOLECULAR ORBITAL; POLYMER SYSTEMS;

ALGORITHMS; COMPUTER SIMULATION; FABRICATION; HAMILTONIANS; MICROSCOPIC EXAMINATION; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; POLYETHYLENES;

POLYPEPTIDES;

EID: 22944467496     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1857481     Document Type: Article

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