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

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

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

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

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

by 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
Published 2022

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

by 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
Published 2021