Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Guomeng Xing"'
Autor:
Yi Hua, Xiaobao Fang, Guomeng Xing, Yuan Xu, Li Liang, Chenglong Deng, Xiaowen Dai, Haichun Liu, Tao Lu, Yanmin Zhang, Yadong Chen
Publikováno v:
Journal of Chemical Information and Modeling. 62:1654-1668
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef0414bf5b4103c03953b3a4c04a99e0
https://doi.org/10.1021/acs.jcim.2c00068
https://doi.org/10.1021/acs.jcim.2c00068
Autor:
Li Liang, Haichun Liu, Guomeng Xing, Chenglong Deng, Yi Hua, Rui Gu, Tao Lu, Yadong Chen, Yanmin Zhang
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(17)
Accurate prediction of binding affinity is a primary objective in structure-based drug discovery. A free energy perturbation (FEP) method based on molecular dynamics simulation shows great promise for protein-ligand binding affinity predictions. Howe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d647173420d6af251d60171b039fdd7b
https://pubmed.ncbi.nlm.nih.gov/35416820
https://pubmed.ncbi.nlm.nih.gov/35416820
Autor:
Guomeng Xing, Xingye Chen, Yan Yang, Yadong Chen, Yanmin Zhang, Yi Hua, Li Liang, Tao Lu, Chenglong Deng, Haichun Liu
Publikováno v:
ACS Combinatorial Science. 22:873-886
Rheumatoid arthritis (RA) is a chronic autoimmune disease, which is compared to "immortal cancer" in industry. Currently, SYK, BTK, and JAK are the three major targets of protein tyrosine kinase for this disease. According to existing research, marke
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8e1a42e0901630cfa11eeaa4c23504d
https://doi.org/10.1021/acscombsci.0c00169
https://doi.org/10.1021/acscombsci.0c00169
Autor:
Yi, Hua, Xiaobao, Fang, Guomeng, Xing, Yuan, Xu, Li, Liang, Chenglong, Deng, Xiaowen, Dai, Haichun, Liu, Tao, Lu, Yanmin, Zhang, Yadong, Chen
Publikováno v:
Journal of chemical information and modeling. 62(7)
Reaction-based
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::86fe941e998684b9a444d2dda47d7d22
https://pubmed.ncbi.nlm.nih.gov/35353505
https://pubmed.ncbi.nlm.nih.gov/35353505
Publikováno v:
European journal of medicinal chemistry. 234
Compared with traditional de novo drug discovery, drug repurposing has become an attractive drug discovery strategy due to its low-cost and high efficiency. Through a comprehensive analysis of the candidates that have been identified with drug reposi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::66e42034531bd269d85b1b5b45d4458c
https://pubmed.ncbi.nlm.nih.gov/35290843
https://pubmed.ncbi.nlm.nih.gov/35290843
Autor:
Xingye Chen, Yanmin Zhang, Chenglong Deng, Li Liang, Yi Hua, Haichun Liu, Tao Lu, Guomeng Xing, Yadong Chen, Yan Yang
Drug-induced cardiotoxicity has become one of the major reasons leading to drug withdrawal in past decades, which is closely related to the blockade of human Ether-a-go-go-related gene (hERG) potassium channel. Developing reliable hERG predicting mod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0637938ba9b0e0de9957c79a45b44860
https://doi.org/10.26434/chemrxiv.13153112.v2
https://doi.org/10.26434/chemrxiv.13153112.v2
Autor:
Yan Yang, Yanmin Zhang, Yihang Zhang, Xingye Chen, Yi Hua, Guomeng Xing, Chenglong Deng, Li Liang, Tao Lu, Zhengda He, Yadong Chen, Haichun Liu
Drug-induced cardiotoxicity has become one of the major reasons leading to drug withdrawal in past decades, which is closely related to the blockade of human Ether-a-go-go-related gene (hERG) potassium channel. Developing reliable hERG predicting mod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cea590e6b28daceaad8829bd5376b375
https://doi.org/10.26434/chemrxiv.13153112.v1
https://doi.org/10.26434/chemrxiv.13153112.v1
Autor:
Xingye Chen, Yan Yang, Haichun Liu, Yi Hua, Chenglong Deng, Guomeng Xing, Yuanrong Fan, Yanmin Zhang, Wuchen Xie, Li Liang, Tao Lu, Yadong Chen, Yuchen Wang
Publikováno v:
Journal of chemical information and modeling. 60(10)
Kinase inhibitors are widely used in antitumor research, but there are still many problems such as drug resistance and off-target toxicity. A more suitable solution is to design a multitarget inhibitor with certain selectivity. Herein, computational
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24179272fac05b9defbdee59ea9e1178
https://pubmed.ncbi.nlm.nih.gov/32926776
https://pubmed.ncbi.nlm.nih.gov/32926776