Peptide free energy landscapes calibrated by molecular orbital calculations

Journal of Biological Physics

Volumn 28, Issue 3, 2002, Pages 427-437

  Ono, S ^a   Kuroda, M ^a   Higo, J ^b   Kamiya, N ^c   Nakajima, N ^d   Nakamura, H ^d  

^a MITSUBISHI TANABE PHARMA CORPORATION   (Japan)

^b TOKYO UNIVERSITY OF PHARMACY AND LIFE SCIENCES   (Japan)

^c BIOMOL ENG RESEARCH INSTITUTE   (Japan)

^d OSAKA UNIVERSITY   (Japan)

Author keywords

Force field; Multicanonical molecular dynamics; Peptide conformations; Potential of mean force; Quantum chemical calculation; Structural ensemble

Indexed keywords

AB INITIO CALCULATION; ARTICLE; CALIBRATION; ENERGY; FORCE; MOLECULAR DYNAMICS; PEPTIDE ANALYSIS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; QUANTUM CHEMISTRY;

EID: 0036032608     PISSN: 00920606     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1020364606020     Document Type: Article

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