Home / Publications / Modelling of the ‘structure–biological activity’ relationship for conformationally mobile molecules

Modelling of the ‘structure–biological activity’ relationship for conformationally mobile molecules

Gennady Mikhailovich Makeev 1
Gennady Mikhailovich Makeev
, 
Mikhail Kumskov 1
Mikhail Kumskov
10.1070/MC1998v008n02ABEH000886
Published 1998-04-28
Communication , Volume 8, Issue 2, 62-65
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Makeev G. M., Kumskov M. Modelling of the ‘structure–biological activity’ relationship for conformationally mobile molecules // Mendeleev Communications. 1998. Vol. 8. No. 2. pp. 62-65.
GOST all authors (up to 50) Copy
Makeev G. M., Kumskov M. Modelling of the ‘structure–biological activity’ relationship for conformationally mobile molecules // Mendeleev Communications. 1998. Vol. 8. No. 2. pp. 62-65.
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TY - JOUR
DO - 10.1070/MC1998v008n02ABEH000886
UR - https://mendcomm.colab.ws/publications/10.1070/MC1998v008n02ABEH000886
TI - Modelling of the ‘structure–biological activity’ relationship for conformationally mobile molecules
T2 - Mendeleev Communications
AU - Makeev, Gennady Mikhailovich
AU - Kumskov, Mikhail
PY - 1998
DA - 1998/04/28
PB - Mendeleev Communications
SP - 62-65
IS - 2
VL - 8
ER -
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@article{1998_Makeev,
author = {Gennady Mikhailovich Makeev and Mikhail Kumskov},
title = {Modelling of the ‘structure–biological activity’ relationship for conformationally mobile molecules},
journal = {Mendeleev Communications},
year = {1998},
volume = {8},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1070/MC1998v008n02ABEH000886},
number = {2},
pages = {62--65},
doi = {10.1070/MC1998v008n02ABEH000886}
}
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Makeev, Gennady Mikhailovich, and Mikhail Kumskov. “Modelling of the ‘structure–biological activity’ relationship for conformationally mobile molecules.” Mendeleev Communications, vol. 8, no. 2, Apr. 1998, pp. 62-65. https://mendcomm.colab.ws/publications/10.1070/MC1998v008n02ABEH000886.

Abstract

A procedure for the QSAR study of conformationally mobile molecules is proposed.

References

2.
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
Cramer R.D., Patterson D.E., Bunce J.D.
Journal of the American Chemical Society, 1988
4.
Similarity searching in files of three-dimensional chemical structures: Comparison of fragment-based measures of shape similarity
Bath P.A., Poirrette A.R., Willett P., Allen F.H.
Journal of Chemical Information and Modeling, 1994
5.
New method for rapid characterization of molecular shapes: applications in drug design
Nilakantan R., Bauman N., Venkataraghavan R.
Journal of Chemical Information and Computer Sciences, 1993
7.
10.1070/MC1998v008n02ABEH000886_bib7
Makeev
Pattern Recogn. Image Anal., 1996
8.
10.1070/MC1998v008n02ABEH000886_bib8
Ponomareva
Khim.-Farm. Zh., 1993
9.
10.1070/MC1998v008n02ABEH000886_bib9
Kumskov
Pattern Recogn. Image Anal., 1996
10.
10.1070/MC1998v008n02ABEH000886_bib10
Self-organizing methods of modeling: GMDH-type algorithms, 1986
11.
Chance factors in studies of quantitative structure-activity relationships
Topliss J.G., Edwards R.P.
Journal of Medicinal Chemistry, 1979
12.
10.1070/MC1998v008n02ABEH000886_bib12
Sharaf
Khemometrika, 1984
15.
Macromodel User Manual. Version 4.5, Columbia University, New York, 1994.
16.
Molecular mechanics. The MM3 force field for hydrocarbons. 1
Allinger N.L., Yuh Y.H., Lii J.H.
Journal of the American Chemical Society, 1989