Open Access
Russian Chemical Reviews, volume 78, issue 6, pages 495-511
Molecular simulation of receptors of physiologically active compounds for purposes of medical chemistry
Publication type: Journal Article
Publication date: 2009-06-30
Journal:
Russian Chemical Reviews
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 7.7
ISSN: 0036021X, 14684837
General Chemistry
Abstract
The general strategy of the molecular simulation of biological receptors and their interaction with ligands is considered. The procedures for construction of 3D protein models, molecular docking, evaluation of model quality, determination of the free energy of protein binding with ligands are discussed. The methods of molecular design of new medicaments based on molecular models of biological targets: virtual screening and de novo design, are presented. Examples of the above-listed approaches for the simulation of a number of pharmacologically significant receptors, analysis of receptor–ligand interactions and design of new biologically active organic compounds are given.
Top-30
Journals
|
1
2
|
|
|
Russian Chemical Reviews
2 publications, 25%
|
|
|
Russian Chemical Bulletin
2 publications, 25%
|
|
|
Mendeleev Communications
1 publication, 12.5%
|
|
|
Wiley Interdisciplinary Reviews: Computational Molecular Science
1 publication, 12.5%
|
|
|
ChemInform
1 publication, 12.5%
|
|
|
Progress in Drug Research
1 publication, 12.5%
|
|
|
1
2
|
Publishers
|
1
2
3
|
|
|
Springer Nature
3 publications, 37.5%
|
|
|
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
2 publications, 25%
|
|
|
Wiley
2 publications, 25%
|
|
|
Elsevier
1 publication, 12.5%
|
|
|
1
2
3
|
- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Baskin I. I., Palyulin V. A., Zefirov N. S. Molecular simulation of receptors of physiologically active compounds for purposes of medical chemistry // Russian Chemical Reviews. 2009. Vol. 78. No. 6. pp. 495-511.
GOST all authors (up to 50)
Copy
Baskin I. I., Palyulin V. A., Zefirov N. S. Molecular simulation of receptors of physiologically active compounds for purposes of medical chemistry // Russian Chemical Reviews. 2009. Vol. 78. No. 6. pp. 495-511.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1070/RC2009v078n06ABEH004032
UR - https://doi.org/10.1070/RC2009v078n06ABEH004032
TI - Molecular simulation of receptors of physiologically active compounds for purposes of medical chemistry
T2 - Russian Chemical Reviews
AU - Baskin, Igor I
AU - Palyulin, Vladimir A.
AU - Zefirov, Nikolai S.
PY - 2009
DA - 2009/06/30
PB - Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
SP - 495-511
IS - 6
VL - 78
SN - 0036-021X
SN - 1468-4837
ER -
Cite this
BibTex
Copy
@article{2009_Baskin,
author = {Igor I Baskin and Vladimir A. Palyulin and Nikolai S. Zefirov},
title = {Molecular simulation of receptors of physiologically active compounds for purposes of medical chemistry},
journal = {Russian Chemical Reviews},
year = {2009},
volume = {78},
publisher = {Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii},
month = {jun},
url = {https://doi.org/10.1070/RC2009v078n06ABEH004032},
number = {6},
pages = {495--511},
doi = {10.1070/RC2009v078n06ABEH004032}
}
Cite this
MLA
Copy
Baskin, Igor I., et al. “Molecular simulation of receptors of physiologically active compounds for purposes of medical chemistry.” Russian Chemical Reviews, vol. 78, no. 6, Jun. 2009, pp. 495-511. https://doi.org/10.1070/RC2009v078n06ABEH004032.