DeepBindPoc : a deep learning method to rank ligand binding pockets using molecular vector representation

بواسطة Zhang, Haiping, Saravanan, Konda Mani, Lin, Jinzhi, Liao, Linbu, Ng, Justin Tze-Yang, Zhou, Jiaxiu, Wei, Yanjie
منشور في 2020

Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design

بواسطة Lam, Hilbert Yuen In, Pincket, Robbe, Han, Hao, Ong, Xing Er, Wang, Zechen, Hinks, Jamie, Wei, Yanjie, Li, Weifeng, Zheng, Liangzhen, Mu, Yuguang
منشور في 2023

A data driven agent-based model that recommends non-pharmaceutical interventions to suppress Coronavirus disease 2019 resurgence in megacities

بواسطة Yin, Ling, Zhang, Hao, Li, Yuan, Liu, Kang, Chen, Tianmu, Luo, Wei, Lai, Shengjie, Li, Ye, Tang, Xiujuan, Ning, Li, Feng, Shengzhong, Wei, Yanjie, Zhao, Zhiyuan, Wen, Ying, Mao, Liang, Mei, Shujiang
منشور في 2022

A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro

بواسطة Zhang, Haiping, Yang, Yang, Li, Junxin, Wang, Min, Saravanan, Konda Mani, Wei, Jinli, Ng, Justin Tze-Yang, Md. Tofazzal Hossain, Liu, Maoxuan, Zhang, Huiling, Ren, Xiaohu, Pan, Yi, Peng, Yin, Shi, Yi, Wan, Xiaochun, Liu, Yingxia, Wei, Yanjie
منشور في 2021