1. Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening?. Issue 5 (8th January 2021) Authors: Shen, Chao; Weng, Gaoqi; Zhang, Xujun; Leung, Elaine Lai-Han; Yao, Xiaojun; Pang, Jinping; Chai, Xin; Li, Dan; Wang, Ercheng; Cao, Dongsheng; Hou, Tingjun Journal: Briefings in bioinformatics Issue: Volume 22:Issue 5(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Assessing the performance of MM/PBSA and MM/GBSA methods. 9. Prediction reliability of binding affinities and binding poses for protein–peptide complexes. Issue 19 (7th May 2019) Authors: Weng, Gaoqi; Wang, Ercheng; Chen, Fu; Sun, Huiyong; Wang, Zhe; Hou, Tingjun Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 19(2019) Page Start: 10135 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Assessing the performance of the MM/PBSA and MM/GBSA methods. 10. Impacts of enhanced sampling and variable dielectric model on protein–protein Interactions. Issue 35 (27th August 2019) Authors: Wang, Ercheng; Weng, Gaoqi; Sun, Huiyong; Du, Hongyan; Zhu, Feng; Chen, Fu; Wang, Zhe; Hou, Tingjun Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 35(2019) Page Start: 18958 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors. Issue Volume 49:Issue D1(2021) (17th October 2020) Authors: Du, Hongyan; Gao, Junbo; Weng, Gaoqi; Ding, Junjie; Chai, Xin; Pang, Jinping; Kang, Yu; Li, Dan; Cao, Dongsheng; Hou, Tingjun Journal: Nucleic acids research Issue: Volume 49:Issue D1(2021) Page Start: D1122 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Deep learning approaches for de novo drug design: An overview. (February 2022) Authors: Wang, Mingyang; Wang, Zhe; Sun, Huiyong; Wang, Jike; Shen, Chao; Weng, Gaoqi; Chai, Xin; Li, Honglin; Cao, Dongsheng; Hou, Tingjun Journal: Current opinion in structural biology Issue: Volume 72(2022) Page Start: 135 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. PROTAC-DB 2.0: an updated database of PROTACs. Issue Volume 51:Issue D1(2023) (27th October 2022) Authors: Weng, Gaoqi; Cai, Xuanyan; Cao, Dongsheng; Du, Hongyan; Shen, Chao; Deng, Yafeng; He, Qiaojun; Yang, Bo; Li, Dan; Hou, Tingjun Journal: Nucleic acids research Issue: Volume 51:Issue D1(2023) Page Start: D1367 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. PROTAC-DB: an online database of PROTACs. Issue Volume 49:Issue D1(2021) (3rd October 2020) Authors: Weng, Gaoqi; Shen, Chao; Cao, Dongsheng; Gao, Junbo; Dong, Xiaowu; He, Qiaojun; Yang, Bo; Li, Dan; Wu, Jian; Hou, Tingjun Journal: Nucleic acids research Issue: Volume 49:Issue D1(2021) Page Start: D1381 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Structural view on the role of the TRD loop in regulating DNMT3A activity: a molecular dynamics study. Issue 26 (27th June 2022) Authors: Zhao, Hong; Yu, Jie; Weng, Gaoqi; Yu, Jiahui; Wang, Ercheng; Gao, Junbo; Liu, Huanxiang; Hou, Tingjun; Wang, Zhe; Kang, Yu Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 26(2022) Page Start: 15791 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗