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Volumn 6, Issue 10, 2004, Pages 2543-2556

Spectroscopically-tested, improved, semi-empirical potentials for biological molecules: Calculations for glycine, alanine and proline

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE; GLYCINE; PROLINE;

EID: 3042653188     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b315326f     Document Type: Article
Times cited : (90)

References (63)
  • 36
    • 3042634538 scopus 로고    scopus 로고
    • MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles. R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schutz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson and H.-J. Werner
    • MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles. R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schutz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson and H.-J. Werner.
  • 42
    • 0003422019 scopus 로고    scopus 로고
    • Wavefunction, Inc. 18401 Von Karman Ave, Suite 370, Irvine, California, 92612 USA
    • SPARTAN version 5.0, Wavefunction, Inc. 18401 Von Karman Ave, Suite 370, Irvine, California, 92612 USA.
    • SPARTAN Version 5.0
  • 51
    • 3042541944 scopus 로고    scopus 로고
    • note
    • Geometries are deposited as ESI in .pdb format (converted to pdb from GAMESS output via the MOLDEN program, copyright © 1991 Gijs Schaftenaar, CMBI).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.