Molecular mechanics and all-electron fragment molecular orbital calculations on mutated polyglutamine peptides

Journal of Molecular Structure: THEOCHEM

Volumn 944, Issue 1-3, 2010, Pages 12-20

  Van Schouwen, Bryan M B ^a   Nakano, Miki ^b   Watanabe, Hirofumi ^b,c   Tanaka, Shigenori ^b,c   Gordon, Heather L ^a   Rothstein, Stuart M ^a  

^a BROCK UNIVERSITY   (Canada)

^b KOBE UNIVERSITY   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Fragment molecular orbitals; Molecular mechanics; Polyglutamine; Proline mutation; Simulated annealing

Indexed keywords

EID: 76749118401     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.12.019     Document Type: Article

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