Showing results (1-10 of 272) with videos related to
Sort By:
Pageof 28
Journal of Chemical Information and Modeling|November 14, 2023
Tree-Invent: A Novel Multipurpose Molecular Generative Model Constrained with a Topological TreeMingyuan Xu, Hongming ChenJournal of Chemical Information and Modeling|July 1, 2021
De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding SitesMingyuan Xu, Ting Ran, Hongming ChenJournal of Cheminformatics|September 3, 2024
EC-Conf: A ultra-fast diffusion model for molecular conformation generation with equivariant consistencyZhiguang Fan, Yuedong Yang, Mingyuan Xu, et al.Journal of Chemical Information and Modeling|June 15, 2026
EC-Dock: A Fast Equivariant Consistency Model for Molecular Docking and Virtual ScreeningZhiguang Fan, Yuedong Yang, Mingyuan Xu, et al.Molecules (Basel, Switzerland)|January 8, 2023
3D Conformational Generative Models for Biological Structures Using Graph Information-Embedded Relative CoordinatesMingyuan Xu, Weifeng Huang, Min Xu, et al.The Journal of Physical Chemistry. B|May 4, 2026
Integrating Machine Learning Interatomic Potentials with MMPBSA for Accurate Protein-Ligand Binding Free Energy CalculationsXue-Xin Wei, Yuxinxin Chen, Yuedong Yang, et al.ACS Omega|September 29, 2025
Comprehensive Benchmark Study of Diffusion-Based 3D Molecular Generation ModelsYifei Qin, Xuexin Wei, Mingyuan Xu, et al.Journal of Chemical Information and Modeling|January 19, 2024
GRELinker: A Graph-Based Generative Model for Molecular Linker Design with Reinforcement and Curriculum LearningHao Zhang, Jinchao Huang, Junjie Xie, et al.Journal of Chemical Information and Modeling|December 4, 2024
How Good are Current Pocket-Based 3D Generative Models?: The Benchmark Set and Evaluation of Protein Pocket-Based 3D Molecular Generative ModelsHaoyang Liu, Yifei Qin, Zhangming Niu, et al.Pageof 28