Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Tengxin Huang"'
Autor:
Zhijiang Yang, Tengxin Huang, Li Pan, Jingjing Wang, Liangliang Wang, Junjie Ding, Junhua Xiao
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-12 (2024)
Abstract Previous studies have shown that the three-dimensional (3D) geometric and electronic structure of molecules play a crucial role in determining their key properties and intermolecular interactions. Therefore, it is necessary to establish a qu
Externí odkaz:
https://doaj.org/article/66bb7fcff15941be92cc0b330526e683
Autor:
Zhijiang Yang, Youjun Xu, Li Pan, Tengxin Huang, Yunfan Wang, Junjie Ding, Liangliang Wang, Junhua Xiao
Publikováno v:
Artificial Intelligence Chemistry, Vol 2, Iss 2, Pp 100074- (2024)
Molecular conformations generation (MCG) aims to efficiently obtain reasonable and stable three-dimensional (3D) atomic coordinates of the atoms in the molecule from scratch, providing a structural foundation for molecular representation learning mod
Externí odkaz:
https://doaj.org/article/0773a5801972491bacf28671f3bf0f96
Autor:
Zhijiang Yang, Tengxin Huang, Li Pan, Jingjing Wang, Liangliang Wang, Junjie Ding, Junhua Xiao
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-1 (2024)
Externí odkaz:
https://doaj.org/article/e3ec790fecc944d5897c1c79a91b5e12
Publikováno v:
Molecules, Vol 29, Iss 2, p 295 (2024)
TRPV1 channel agonists and antagonists, which have powerful analgesic effects without the addictive qualities associated with traditional analgesics, have become a focus area for the development of novel analgesics. In this study, quantitative struct
Externí odkaz:
https://doaj.org/article/aa32b676d81a4a9e988ab73ad582bbd6