Zobrazeno 1 - 10
of 111
pro vyhledávání: '"Peichen Pan"'
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-16 (2024)
Abstract Accurate prediction of the enzyme comission (EC) numbers for chemical reactions is essential for the understanding and manipulation of enzyme functions, biocatalytic processes and biosynthetic planning. A number of machine leanring (ML)-base
Externí odkaz:
https://doaj.org/article/905af91208eb419da9ca09a9b4de220f
Autor:
Xujun Zhang, Chao Shen, Dejun Jiang, Jintu Zhang, Qing Ye, Lei Xu, Tingjun Hou, Peichen Pan, Yu Kang
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-17 (2023)
Abstract Machine learning-based scoring functions (MLSFs) have shown potential for improving virtual screening capabilities over classical scoring functions (SFs). Due to the high computational cost in the process of feature generation, the numbers o
Externí odkaz:
https://doaj.org/article/e2b30a8f828e41bda7f162c7ba96be9f
Autor:
Tianyue Wang, Xujun Zhang, Odin Zhang, Guangyong Chen, Peichen Pan, Ercheng Wang, Jike Wang, Jialu Wu, Donghao Zhou, Langcheng Wang, Ruofan Jin, Shicheng Chen, Chao Shen, Yu Kang, Chang-Yu Hsieh, Tingjun Hou
Publikováno v:
Research, Vol 7 (2024)
Protein loop modeling is a challenging yet highly nontrivial task in protein structure prediction. Despite recent progress, existing methods including knowledge-based, ab initio, hybrid, and deep learning (DL) methods fall substantially short of eith
Externí odkaz:
https://doaj.org/article/27a97e0fafd54f8c9f38721ac4b99822
Autor:
Zhenxing Wu, Jike Wang, Hongyan Du, Dejun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dongsheng Cao, Chang-Yu Hsieh, Tingjun Hou
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-15 (2023)
Abstract Graph neural networks (GNNs) have been widely used in molecular property prediction, but explaining their black-box predictions is still a challenge. Most existing explanation methods for GNNs in chemistry focus on attributing model predicti
Externí odkaz:
https://doaj.org/article/e007de85dcd742e0b069a7fd087d1c12
Autor:
Mingyang Wang, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Honglin Li, Chang-Yu Hsieh, Tingjun Hou
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-11 (2022)
Abstract Deep learning (DL) and machine learning contribute significantly to basic biology research and drug discovery in the past few decades. Recent advances in DL-based generative models have led to superior developments in de novo drug design. Ho
Externí odkaz:
https://doaj.org/article/db1f876706704fe9b5f75e3374bfbc46
Autor:
Gaoang Wang, Jiahui Yu, Hongyan Du, Chao Shen, Xujun Zhang, Yifei Liu, Yangyang Zhang, Dongsheng Cao, Peichen Pan, Tingjun Hou
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-10 (2022)
Abstract As an important member of ion channels family, the voltage-gated sodium channel (VGSC/Nav) is associated with a variety of diseases, including epilepsy, migraine, ataxia, etc., and has always been a hot target for drug design and discovery.
Externí odkaz:
https://doaj.org/article/feeb46fcb9e1458eaed7a9b93c090060
Autor:
Tiantian Xu, Qisheng Ma, Yanan Li, Qing Yu, Peichen Pan, Yawen Zheng, Zhijian Li, Xiufang Xiong, Tingjun Hou, Bin Yu, Hongmin Liu, Yi Sun
Publikováno v:
Signal Transduction and Targeted Therapy, Vol 7, Iss 1, Pp 1-15 (2022)
Abstract Protein neddylation is catalyzed by a neddylation activating enzyme (NAE, E1), an E2 conjugating enzyme, and an E3 ligase. In various types of human cancers, the neddylation pathway is abnormally activated. Our previous study validated that
Externí odkaz:
https://doaj.org/article/17a7d8af36d14705ab74b1acd3988c5d
Autor:
Jing Ni, Sheheryar Kabraji, Shaozhen Xie, Yanzhi Wang, Peichen Pan, Xiaofang He, Zongming Liu, Jose Palbo Leone, Henry W. Long, Myles A. Brown, Eric P. Winer, Deborah A. R. Dillon, Nancy U. Lin, Jean J. Zhao
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-8 (2022)
HER2+ breast cancer often develop brain metastases (BCBMs) that are difficult to treat. Here, the authors show that p16INK4A loss in BCBMs from HER2+ breast tumors results in resistance to the HER2 inhibitor Tucatinib, and that CDK4/6 inhibition can
Externí odkaz:
https://doaj.org/article/16bc242049ff4c6ca1e0501ace504822
Autor:
Yanan Li, Chaorong Wang, Tiantian Xu, Peichen Pan, Qing Yu, Lei Xu, Xiufang Xiong, Tingjun Hou, Sunliang Cui, Yi Sun
Publikováno v:
Acta Pharmaceutica Sinica B, Vol 11, Iss 11, Pp 3567-3584 (2021)
Protein neddylation is catalyzed by a three-enzyme cascade, namely an E1 NEDD8-activating enzyme (NAE), one of two E2 NEDD8 conjugation enzymes and one of several E3 NEDD8 ligases. The physiological substrates of neddylation are the family members of
Externí odkaz:
https://doaj.org/article/ef5672f426bd4fa496d01d9b92a63db6
Autor:
Qing Yu, Zhiguo Hu, Yanwen Shen, Yihan Jiang, Peichen Pan, Tingjun Hou, Zhen-Qiang Pan, Jing Huang, Yi Sun
Publikováno v:
Neoplasia: An International Journal for Oncology Research, Vol 22, Iss 4, Pp 179-191 (2020)
Cullin-RING E3 ligase (CRL) is the largest family of E3 ubiquitin ligase, responsible for ubiquitylation of ∼20% of cellular proteins. CRL plays an important role in many biological processes, particularly in cancers due to abnormal activation. CRL
Externí odkaz:
https://doaj.org/article/73cda64f18ba4b59b298324d3803660c