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Volumn 7, Issue 2, 1989, Pages 113-117

A rapid method for the computation, comparison and display of molecular volumes

Author keywords

3 D molecular shape; bit maps; graphics of molecular surface; mesh surface; molecular volume; volume mapping

Indexed keywords

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; COMPUTER GRAPHICS; COMPUTER SIMULATION; CONFORMATION; MACROMOLECULE; PHYSICAL CHEMISTRY; SURFACE PROPERTY;

EID: 0024685828     PISSN: 02637855     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0263-7855(89)80015-3     Document Type: Article
Times cited : (12)

References (15)
  • 3
    • 0020799931 scopus 로고
    • The calculation of molecular volumes and the use of volume analysis in the investigation of structured media and of solid-state organic reactivity
    • (1983) J. Am. Chem. Soc. , vol.105 , pp. 5220-5225
    • Gavezzotti1
  • 6
    • 0002233999 scopus 로고
    • A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds
    • (1986) J. Chem. Inf. Comput. Sci. , vol.26 , pp. 4-12
    • Stouch1    Jurs2
  • 8
    • 84916432138 scopus 로고    scopus 로고
    • Mohamadi, F., Richards, N.G.J., Guida, W.C., Liskamp, R., Lipton, M., Caufield, C., Chang, G., Hendrickson, T., and Still, W.C., Macromodel — an integrated software system for modeling organic and bioorganic molecules using molecular mechanics. J. Comp. Chem., submitted for publication
  • 9
    • 84916457101 scopus 로고    scopus 로고
    • MacroModel is available from Professor W. Clark Still, Department of Chemistry, Columbia University, New York, NY, 10027, USA
  • 11
    • 0019450355 scopus 로고
    • Coordinates for crambin were obtained from the Brookhaven Protein Data Bank, entry: 1 CRN
    • (1981) Nature , vol.290 , pp. 107-113
    • Hendrickson1    Teeter2
  • 15
    • 0020476130 scopus 로고
    • Structure of a mercaptan — thermolysin complex illustrates mode of inhibition of zinc proteases by substrate — analogue mercaptans
    • modified for mercaptan inhibitors
    • (1982) Biochem. , vol.21 , pp. 3390-3394
    • Monzingo1    Matthews2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.