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LigDockTailor: Ligand-specific docking tool matching using multidimensional descriptors

delete2025-06-15
delete0
PRE
AI
张凯 cover
张凯 (Kai Zhang)
Y
Yunmei Zhu
张
张敏 (Min Zhang)
Y
Yanghan Sun
Z
Ziheng Zhang
王
王悦阳 (Yueyang Wang)
Y
Yixian Tan
L
Linyu Yu
S
Sirui Chen
S
Shiyong Ma
朱
朱孔凯 (Kongkai Zhu)
B
Bowen Ke
吴
吴家雪 (Jiaxue Wu)
Z
Zufeng Guo
L
Ling Zhang
Y
Yongjun Dang
J
Junchi Hu
DOI：10.1016/j.compbiolchem.2025.108554delete
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Abstract

Abstract

En 中文
• Physicochemical properties of ligands significantly influence docking accuracy. • LigDockTailor can assess the effect of ligands on the accuracy of docking results. • Ligand classification further enhances the experimental efficacy of virtual screening.

Journal

Journal of Computational Chemistry cover
Journal of Computational Chemistry
IF:
4.8
Papers:
7.1K
Citations:
6.1W

Organization

No organization information available