Zobrazeno 1 - 10
of 864
pro vyhledávání: '"Molecular vector"'
Autor:
Zhang, Haiping1 (AUTHOR) hp.zhang@siat.ac.cn, Saravanan, Konda Mani2 (AUTHOR) saravananbioinform@bharathuniv.ac.in, Zhang, John Z. H.1,3,4 (AUTHOR) hp.zhang@siat.ac.cn
Publikováno v:
Molecules. Jun2023, Vol. 28 Issue 12, p4691. 21p.
Publikováno v:
Molecules, Vol 28, Iss 12, p 4691 (2023)
The core of large-scale drug virtual screening is to select the binders accurately and efficiently with high affinity from large libraries of small molecules in which non-binders are usually dominant. The binding affinity is significantly influenced
Externí odkaz:
https://doaj.org/article/c765bfb6824d485387e262cb9294e167
Autor:
Zhang, Xiaojiao1 (AUTHOR), Luo, Fuling2 (AUTHOR), Li, Jing3 (AUTHOR), Wan, Jingyuan3 (AUTHOR), Zhang, Li4 (AUTHOR), Li, Hongzhong5 (AUTHOR), Chen, Aijun1 (AUTHOR), Chen, Jin1 (AUTHOR), Cai, Tao1 (AUTHOR), He, Xian6 (AUTHOR), Lisse, Thomas S.7 (AUTHOR), Zhao, Hengguang1 (AUTHOR) zhgdoc@hotmail.com
Publikováno v:
Experimental Dermatology. Jan2019, Vol. 28 Issue 1, p45-52. 8p.
Autor:
Haiping Zhang, Konda Mani Saravanan, Jinzhi Lin, Linbu Liao, Justin Tze-Yang Ng, Jiaxiu Zhou, Yanjie Wei
Publikováno v:
PeerJ, Vol 8, p e8864 (2020)
Accurate identification of ligand-binding pockets in a protein is important for structure-based drug design. In recent years, several deep learning models were developed to learn important physical–chemical and spatial information to predict ligand
Externí odkaz:
https://doaj.org/article/93c20f424b9d4a768c57fb0e0fd44743
Akademický článek
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Autor:
Gallego‐Yerga, Laura1, Benito, Juan M.2, Blanco‐Fernández, Laura3, Martínez‐Negro, María4, Vélaz, Itziar5, Aicart, Emilio4, Junquera, Elena4 junquera@quim.ucm.es, Ortiz Mellet, Carmen1 mellet@us.es, Tros de Ilarduya, Conchita3 ctros@unav.es, García Fernández, Jose M.2 jogarcia@iiq.csic.es
Publikováno v:
Chemistry - A European Journal. 3/12/2018, Vol. 24 Issue 15, p3825-3835. 11p.
Akademický článek
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The core of large-scale drug virtual screening is to accurately and efficiently select the binders with high affinity from large libraries of small molecules in which nonbinders are usually dominant. The protein pocket, ligand spatial information, an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bd1df047bedebc233d205416a0b9e563
https://doi.org/10.1101/2023.03.16.528593
https://doi.org/10.1101/2023.03.16.528593
