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Gaoqi Weng
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2020 – today
- 2024
- [j11]Mingyang Wang, Zhengjian Wu, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Xiaojun Yao, Zhitong Bing, Chang-Yu Hsieh, Tingjun Hou:
Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space. J. Chem. Inf. Model. 64(4): 1213-1228 (2024) - 2023
- [j10]Gaoqi Weng, Xuanyan Cai, Dong-Sheng Cao, Hongyan Du, Chao Shen, Yafeng Deng, Qiaojun He, Bo Yang, Dan Li, Tingjun Hou:
PROTAC-DB 2.0: an updated database of PROTACs. Nucleic Acids Res. 51(D1): 1367-1372 (2023) - [j9]Odin Zhang, Tianyue Wang, Gaoqi Weng, Dejun Jiang, Ning Wang, Xiaorui Wang, Huifeng Zhao, Jialu Wu, Ercheng Wang, Guangyong Chen, Yafeng Deng, Peichen Pan, Yu Kang, Chang-Yu Hsieh, Tingjun Hou:
Learning on topological surface and geometric structure for 3D molecular generation. Nat. Comput. Sci. 3(10): 849-859 (2023) - 2022
- [j8]Mingyang Wang, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Honglin Li, Chang-Yu Hsieh, Tingjun Hou:
ReMODE: a deep learning-based web server for target-specific drug design. J. Cheminformatics 14(1): 84 (2022) - 2021
- [j7]Chao Shen, Gaoqi Weng, Xujun Zhang, Elaine Lai-Han Leung, Xiaojun Yao, Jinping Pang, Xin Chai, Dan Li, Ercheng Wang, Dong-Sheng Cao, Tingjun Hou:
Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening? Briefings Bioinform. 22(5) (2021) - [j6]Xujun Zhang, Chao Shen, Xueying Guo, Zhe Wang, Gaoqi Weng, Qing Ye, Gaoang Wang, Qiaojun He, Bo Yang, Dong-Sheng Cao, Tingjun Hou:
ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions. J. Cheminformatics 13(1): 6 (2021) - [j5]Ercheng Wang, Weitao Fu, Dejun Jiang, Huiyong Sun, Junmei Wang, Xujun Zhang, Gaoqi Weng, Hui Liu, Peng Tao, Tingjun Hou:
VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations. J. Chem. Inf. Model. 61(6): 2844-2856 (2021) - [j4]Hongyan Du, Junbo Gao, Gaoqi Weng, Jun-Jie Ding, Xin Chai, Jinping Pang, Yu Kang, Dan Li, Dong-Sheng Cao, Tingjun Hou:
CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors. Nucleic Acids Res. 49(Database-Issue): D1122-D1129 (2021) - [j3]Gaoqi Weng, Chao Shen, Dong-Sheng Cao, Junbo Gao, Xiaowu Dong, Qiaojun He, Bo Yang, Dan Li, Jian Wu, Tingjun Hou:
PROTAC-DB: an online database of PROTACs. Nucleic Acids Res. 49(Database-Issue): D1381-D1387 (2021) - 2020
- [j2]Ercheng Wang, Hui Liu, Junmei Wang, Gaoqi Weng, Huiyong Sun, Zhe Wang, Yu Kang, Tingjun Hou:
Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein-Ligand Binding Affinities. J. Chem. Inf. Model. 60(11): 5353-5365 (2020)
2010 – 2019
- 2019
- [j1]Gaoqi Weng, Ercheng Wang, Zhe Wang, Hui Liu, Feng Zhu, Dan Li, Tingjun Hou:
HawkDock: a web server to predict and analyze the protein-protein complex based on computational docking and MM/GBSA. Nucleic Acids Res. 47(Webserver-Issue): W322-W330 (2019)
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last updated on 2024-10-07 22:11 CEST by the dblp team
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