Van der Waals intersection envelope volumes as a possible basis for steric interaction in CoMFA

Quantitative Structure-Activity Relationships

Volumn 15, Issue 1, 1996, Pages 31-32

  Mureşan, Sorel ^a   Sulea, Traian ^b   Ciubotariu, Dan ^b   Kurunczi, Ludovic ^b   Simon, Zeno ^b  

^a POLITEHNICA UNIVERSITY OF TIMISOARA   (Romania)

^b VICTOR BABES UNIVERSITY OF MEDICINE AND PHARMACY   (Romania)

Author keywords

CoMFA; Lennard Jones potential; Van der Waals volume

Indexed keywords

VAN DER WAALS FORCES;

COMFA; STERIC INTERACTIONS; VAN DER WAAL; VAN DER WAALS' VOLUME;

LENNARD-JONES POTENTIAL;

ARTICLE; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; RECEPTOR BINDING; STEREOCHEMISTRY;

EID: 0030045811     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.19960150106     Document Type: Article

References (6)

1. Cramer III, R.D., De Priest, S.A., Patterson, D.E. and Hecht, P., in: Kubinyi, H., (Ed.), 3D-QSAR in Drug Design. Theory, Methods Applications, ESCOM Sci., Publ., Leiden, 1993, pp. 443-485.
2. Simon, Z., in: Kubinyi, H. (Ed.), 3D-QSAR in Drug Design. Theory Methods Applications, ESCOM Sci. Publ., Leiden, 1993, pp. 307-319.
3. rd Ed., Oxford University Press, Oxford, 1986, pp. 597, 829.
4. [41 Ciubotariu, D., Gogonea, V., Iorga, I., Deretey, E., Medeleanu, M, Mureşan, S. and Bologa C., Chem. Bull. Tech. (UTT) (Timişoara) 38(52), 63-75 (1993).
5. Mureşan, S., Bologa, C., Medeleanu, M., Gogonea, V., Dragoş, D. and Ciubotariu, D., Chem. Bull. Tech. (UTT) (Timişoara) 39(53), 47-57 (1994).
6. Bondi, A., J. Chem. Phys. 68, 441-451 (1964).