Conformational analysis of thiopeptides: Derivation of sp2 sulfur parameters for the CFF91 force field

Journal of Computational Chemistry

Volumn 22, Issue 10, 2001, Pages 1010-1025

  Tran, Tran Trung ^a,b   Treutlein, Herbert ^a,c   Burgess, Antony W ^a  

^a ROYAL MELBOURNE HOSPITAL   (Australia)

^b UNIVERSITY OF QUEENSLAND   (Australia)

^c ST VINCENT S HOSPITAL   (Australia)

Author keywords

Force field; Parameter derivation; Sulfur; Thioamide; Uncoded amino acids

Indexed keywords

EID: 0035974454     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1062     Document Type: Article

References (5)

1. Prasad, B. V. V; Balaram, P. CRC Crit Rev Biochem 1983, 16, 307.
2. Aubury, A.; Protas, J.; Boussard, G.; Marraud, M.; Neel, J. Biopolymers 1978, 17, 1693.
3. Paterson, Y.; Rumsey, S. M.; Benedetti, E.; Nemethy, G.; Scheraga, H. A. J Am Chem Soc 1981, 103, 2947.
4. Veber, D. F.; Freidinger, R. M.; Perlow, D. S.; Paleveda, W. J.; Holly, F. W.; Strachan, R. G.; Nutt, R. F.; Arison, B. H.; Homnick, C; Randall, W. C; Glitzer, M. S.; Saperstein, R.; Hirschmann, R. Nature 1981, 292, 55.
5. Veber, D. F.; Holly, F. W.; Nutt, R. F.; Bergstrand, S. J.; Brady, S. F.; Hirschmann, R. Nature 1979, 280, 512.