Biomedical Chemistry Research and Methods
,  том 1 ,  издание 3 ,  страницы e00073

The HYBOT 3D MF Application and it Integration with CoMFA

Тип публикации: Journal Article
Дата публикации: 2018-10-03
БС2
SJR: —
CiteScore: —
Impact factor: —
ISSN: 26187531
General Medicine
Краткое описание

The program “HYBOT 3D MF” based on the potential “6-8” modified by using HYBOT hydrogen bonding factors has been developed. An integration with “QSAR and Advanced CoMFA” module of the SYBYL-X is performed by set of macros written in SPL. A full working version of the program is available at http://www.ibmc.msk.ru/HYBOT3D. For a number of sets of chemical compounds having pronounced differences in groups with the hydrogen bonding potential, the use of HYBOT 3D MF fields makes it possible to improve the predictive power of models created by the CoMFA technology.

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Skvortsov V. S., Mikurova A. V., Raevsky O. A. The HYBOT 3D MF Application and it Integration with CoMFA // Biomedical Chemistry Research and Methods. 2018. Vol. 1. No. 3. p. e00073.
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Skvortsov V. S., Mikurova A. V., Raevsky O. A. The HYBOT 3D MF Application and it Integration with CoMFA // Biomedical Chemistry Research and Methods. 2018. Vol. 1. No. 3. p. e00073.
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TY - JOUR
DO - 10.18097/bmcrm00073
UR - https://doi.org/10.18097/bmcrm00073
TI - The HYBOT 3D MF Application and it Integration with CoMFA
T2 - Biomedical Chemistry Research and Methods
AU - Skvortsov, V. S.
AU - Mikurova, A V
AU - Raevsky, O A
PY - 2018
DA - 2018/10/03
PB - Institute of Biomedical Chemistry
SP - e00073
IS - 3
VL - 1
SN - 2618-7531
ER -
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@article{2018_Skvortsov,
author = {V. S. Skvortsov and A V Mikurova and O A Raevsky},
title = {The HYBOT 3D MF Application and it Integration with CoMFA},
journal = {Biomedical Chemistry Research and Methods},
year = {2018},
volume = {1},
publisher = {Institute of Biomedical Chemistry},
month = {oct},
url = {https://doi.org/10.18097/bmcrm00073},
number = {3},
pages = {e00073},
doi = {10.18097/bmcrm00073}
}
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Skvortsov, V. S., et al. “The HYBOT 3D MF Application and it Integration with CoMFA.” Biomedical Chemistry Research and Methods, vol. 1, no. 3, Oct. 2018, p. e00073. https://doi.org/10.18097/bmcrm00073.
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