1. Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches. Issue 21 (22nd May 2018) Authors: Sun, Huiyong; Duan, Lili; Chen, Fu; Liu, Hui; Wang, Zhe; Pan, Peichen; Zhu, Feng; Zhang, John Z. H.; Hou, Tingjun Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 21(2018) Page Start: 14450 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses generated by protein–protein docking. Issue 32 (22nd July 2016) Authors: Chen, Fu; Liu, Hui; Sun, Huiyong; Pan, Peichen; Li, Youyong; Li, Dan; Hou, Tingjun Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 32(2016) Page Start: 22129 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Discovery of 3, 6-diaryl-1H-pyrazolo[3, 4-b]pyridines as potent anaplastic lymphoma kinase (ALK) inhibitors. Issue 7 (1st April 2019) Authors: Chen, Changwei; Pan, Peichen; Deng, Ziyang; Wang, Dahai; Wu, Qifan; Xu, Lei; Hou, Tingjun; Cui, Sunliang Journal: Bioorganic & medicinal chemistry letters Issue: Volume 29:Issue 7(2019) Page Start: 912 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Discovery of a novel ROCK2 inhibitor with anti-migration effects via docking and high-content drug screening. Issue 9 (29th June 2016) Authors: Chong, Cheong-Meng; Kou, Man-Teng; Pan, Peichen; Zhou, Hefeng; Ai, Nana; Li, Chuwen; Zhong, Hai-Jing; Leung, Chung-Hang; Hou, Tingjun; Lee, Simon Ming-Yuen Journal: Molecular bioSystems Issue: Volume 12:Issue 9(2016:Sep.) Page Start: 2713 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. DNA-PKcs, a novel functional target of acriflavine, mediates acriflavine's p53-dependent synergistic anti-tumor efficiency with melphalan. Issue 1 (1st December 2016) Authors: Cao, Ji; Lin, Guanyu; Gong, Yanling; Pan, Peichen; Ma, Yaxi; Huang, Ping; Ying, Meidan; Hou, Tingjun; He, Qiaojun; Yang, Bo Journal: Cancer letters Issue: Volume 383:Issue 1(2016) Page Start: 115 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Exploring resistance mechanisms of HCV NS3/4A protease mutations to MK5172: insight from molecular dynamics simulations and free energy calculations1. Issue 9 (11th September 2015) Authors: Guan, Yan; Sun, Huiyong; Pan, Peichen; Li, Youyong; Li, Dan; Hou, Tingjun Journal: Molecular bioSystems Issue: Volume 11:Issue 9(2015:Sep.) Page Start: 2568 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Farnesyltransferase and geranylgeranyltransferase I: structures, mechanism, inhibitors and molecular modeling. Issue 2 (February 2015) Authors: Shen, Mingyun; Pan, Peichen; Li, Youyong; Li, Dan; Yu, Huidong; Hou, Tingjun Journal: Drug discovery today Issue: Volume 20:Issue 2(2015) Page Start: 267 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALK. Issue 7 (31st January 2018) Authors: Kong, Xiaotian; Sun, Huiyong; Pan, Peichen; Zhu, Feng; Chang, Shan; Xu, Lei; Li, Youyong; Hou, Tingjun Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 7(2018) Page Start: 4851 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Importance of protein flexibility in ranking inhibitor affinities: modeling the binding mechanisms of piperidine carboxamides as Type I1/2 ALK inhibitors1. Issue 8 (28th February 2015) Authors: Kong, Xiaotian; Pan, Peichen; Li, Dan; Tian, Sheng; Li, Youyong; Hou, Tingjun Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 8(2015) Page Start: 6098 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Machine learning methods for pKa prediction of small molecules: Advances and challenges. Issue 12 (December 2022) Authors: Wu, Jialu; Kang, Yu; Pan, Peichen; Hou, Tingjun Journal: Drug discovery today Issue: Volume 27:Issue 12(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗