Machine-learning methods for ligand–protein molecular docking
Kevin Crampon
1, 2, 3
,
Alexis Giorkallos
3
,
Myrtille Deldossi
3
,
Stéphanie Baud
4
,
Luiz Angelo Steffenel
2
3
Atos SE, Center of Excellence in Advanced Computing, 38130 Echirolles, France.
|
Тип публикации: Journal Article
Дата публикации: 2022-01-01
scimago Q1
wos Q1
БС1
SJR: 1.742
CiteScore: 16.0
Impact factor: 7.5
ISSN: 13596446, 18785832
PubMed ID:
34560276
Drug Discovery
Pharmacology
Краткое описание
Artificial intelligence (AI) is often presented as a new Industrial Revolution. Many domains use AI, including molecular simulation for drug discovery. In this review, we provide an overview of ligand-protein molecular docking and how machine learning (ML), especially deep learning (DL), a subset of ML, is transforming the field by tackling the associated challenges.
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265
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(70.94%)
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ГОСТ |
RIS |
BibTex |
MLA
Цитировать
ГОСТ
Скопировать
Crampon K. et al. Machine-learning methods for ligand–protein molecular docking // Drug Discovery Today. 2022. Vol. 27. No. 1. pp. 151-164.
ГОСТ со всеми авторами (до 50)
Скопировать
Crampon K., Giorkallos A., Deldossi M., Baud S., Steffenel L. A. Machine-learning methods for ligand–protein molecular docking // Drug Discovery Today. 2022. Vol. 27. No. 1. pp. 151-164.
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RIS
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TY - JOUR
DO - 10.1016/j.drudis.2021.09.007
UR - https://doi.org/10.1016/j.drudis.2021.09.007
TI - Machine-learning methods for ligand–protein molecular docking
T2 - Drug Discovery Today
AU - Crampon, Kevin
AU - Giorkallos, Alexis
AU - Deldossi, Myrtille
AU - Baud, Stéphanie
AU - Steffenel, Luiz Angelo
PY - 2022
DA - 2022/01/01
PB - Elsevier
SP - 151-164
IS - 1
VL - 27
PMID - 34560276
SN - 1359-6446
SN - 1878-5832
ER -
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BibTex (до 50 авторов)
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@article{2022_Crampon,
author = {Kevin Crampon and Alexis Giorkallos and Myrtille Deldossi and Stéphanie Baud and Luiz Angelo Steffenel},
title = {Machine-learning methods for ligand–protein molecular docking},
journal = {Drug Discovery Today},
year = {2022},
volume = {27},
publisher = {Elsevier},
month = {jan},
url = {https://doi.org/10.1016/j.drudis.2021.09.007},
number = {1},
pages = {151--164},
doi = {10.1016/j.drudis.2021.09.007}
}
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MLA
Скопировать
Crampon, Kevin, et al. “Machine-learning methods for ligand–protein molecular docking.” Drug Discovery Today, vol. 27, no. 1, Jan. 2022, pp. 151-164. https://doi.org/10.1016/j.drudis.2021.09.007.