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Volumn 8, Issue 5, 1994, Pages 583-606

A fast and efficient method to generate biologically relevant conformations

Author keywords

Biologically relevant conformations; Comparison with protein bound conformation; Computer program; Conformational analysis of drug molecules; Conformational preferences from crystal structures

Indexed keywords

ADENOSINE PHOSPHATE; LIGAND; PEPTIDE;

EID: 0028522365     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/BF00123667     Document Type: Article
Times cited : (162)

References (55)
  • 6
    • 84935346299 scopus 로고    scopus 로고
    • DeClerq, P.J., Hoflack, J. and Cauwbergh, S., QCPE Program No. QCMP079, Bloomington, IN.
  • 8
    • 84935346302 scopus 로고    scopus 로고
    • Allen, F.H., Kennard, O., Watson, D.G., Brammer, L., Orpen, A.G. and Taylor, R., J. Chem. Soc., Perkin Trans. II, (1987) S1.
  • 10
    • 84935346301 scopus 로고    scopus 로고
    • SYBYL Molecular Modeling System (Version 5.40), Tripos Associates, St. Louis, MO.
  • 11
    • 84935346304 scopus 로고    scopus 로고
    • On request, the supplementary material can be made available through electronic mail provided an appropriate e-mail address is delivered.
  • 54
    • 84935346303 scopus 로고    scopus 로고
    • As an example: on a Silicon Graphics Indigo RS4000 the average time to generate a conformer of NAPAP (Fig. 14) was 3.2 s; for the smaller inhibitor 4-TAPAP (Fig. 15) 1.8 s per conformer were required.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.