日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Unlocking the application potential of AlphaFold3-like approaches in virtual screening

释放 AlphaFold3 类方法在虚拟筛选中的应用潜力

Shen, Chao; Zhang, Xujun; Gu, Shukai; Zhang, Odin; Wang, Qinghan; Du, Gang; Zhao, Yihao; Jiang, Linlong; Pan, Peichen; Kang, Yu; Zhao, Qingwei; Hsieh, Chang-Yu; Hou, Tingjun

Token-Mol 1.0: tokenized drug design with large language models

Token-Mol 1.0:基于大型语言模型的标记化药物设计

Wang, Jike; Qin, Rui; Wang, Mingyang; Fang, Meijing; Zhang, Yangyang; Zhu, Yuchen; Su, Qun; Gou, Qiaolin; Shen, Chao; Zhang, Odin; Wu, Zhenxing; Jiang, Dejun; Zhang, Xujun; Zhao, Huifeng; Ge, Jingxuan; Wu, Zhourui; Kang, Yu; Hsieh, Chang-Yu; Hou, Tingjun

A virtual platform for automated hybrid organic-enzymatic synthesis planning

用于自动化混合有机-酶法合成规划的虚拟平台

Wang, Xiaorui; Yin, Xiaodan; Zhang, Xujun; Zhao, Huifeng; Gu, Shukai; Wu, Zhenxing; Zhang, Odin; Qian, Wenjia; Huang, Yuansheng; Li, Yuquan; Jiang, Dejun; Wang, Mingyang; Liu, Huanxiang; Yao, Xiaojun; Hsieh, Chang-Yu; Hou, Tingjun

CovalentInDB 2.0: an updated comprehensive database for structure-based and ligand-based covalent inhibitor design and screening

CovalentInDB 2.0:一个用于基于结构和基于配体的共价抑制剂设计和筛选的最新综合数据库

Du, Hongyan; Zhang, Xujun; Wu, Zhenxing; Zhang, Odin; Gu, Shukai; Wang, Mingyang; Zhu, Feng; Li, Dan; Hou, Tingjun; Pan, Peichen

HawkDock version 2: an updated web server to predict and analyze the structures of protein-protein complexes

HawkDock 版本 2:用于预测和分析蛋白质-蛋白质复合物结构的更新版网络服务器

Zhang, Xujun; Jiang, Linlong; Weng, Gaoqi; Shen, Chao; Zhang, Odin; Liu, Mingquan; Zhang, Chen; Gu, Shukai; Wang, Jike; Wang, Xiaorui; Du, Hongyan; Zhang, Hui; Zhang, Ke; Wang, Ercheng; Hou, Tingjun

Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation

更正:FragGen:面向可靠的基于片段的三维几何分子生成

Zhang, Odin; Huang, Yufei; Chen, Shicheng; Yu, Mengyao; Zhang, Xujun; Lin, Haitao; Zeng, Yundian; Wang, Mingyang; Wu, Zhenxing; Zhao, Huifeng; Zhang, Zaixi; Hua, Chenqing; Kang, Yu; Cui, Sunliang; Pan, Peichen; Hsieh, Chang-Yu; Hou, Tingjun

Correction: DiffBP: generative diffusion of 3D molecules for target protein binding

更正:DiffBP:用于靶蛋白结合的三维分子生成扩散

Lin, Haitao; Huang, Yufei; Zhang, Odin; Ma, Siqi; Liu, Meng; Li, Xuanjing; Wu, Lirong; Ji, Shuiwang; Hou, Tingjun; Li, Stan Z

DiffBP: generative diffusion of 3D molecules for target protein binding

DiffBP:用于靶蛋白结合的三维分子生成扩散

Lin, Haitao; Huang, Yufei; Zhang, Odin; Ma, Siqi; Liu, Meng; Li, Xuanjing; Wu, Lirong; Wang, Jishui; Hou, Tingjun; Li, Stan Z

3DSMILES-GPT: 3D molecular pocket-based generation with token-only large language model

3DSMILES-GPT:基于标记的大型语言模型的三维分子口袋生成

Wang, Jike; Luo, Hao; Qin, Rui; Wang, Mingyang; Wan, Xiaozhe; Fang, Meijing; Zhang, Odin; Gou, Qiaolin; Su, Qun; Shen, Chao; You, Ziyi; Liu, Liwei; Hsieh, Chang-Yu; Hou, Tingjun; Kang, Yu

De novo Design of All-atom Biomolecular Interactions with RFdiffusion3

利用 RFdiffusion3 从头设计全原子生物分子相互作用

Butcher, Jasper; Krishna, Rohith; Mitra, Raktim; Brent, Rafael I; Li, Yanjing; Corley, Nathaniel; Kim, Paul; Funk, Jonathan; Mathis, Simon; Salike, Saman; Muraishi, Aiko; Eisenach, Helen; Thompson, Tuscan Rock; Chen, Jie; Politanska, Yuliya; Sehgal, Enisha; Coventry, Brian; Zhang, Odin; Qiang, Bo; Didi, Kieran; Kazman, Max; DiMaio, Frank; Baker, David