Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov)

Author:

Zhou Yang1ORCID,Yu Hang1,Vind Anna Constance2,Kong Lulu3,Liu Yiling1,Song Xiaojuan1,Tu Zhengchao1,Yun Caihong3ORCID,Smaill Jeff B.4,Zhang Qing-Wen5,Ding Ke1,Bekker-Jensen Simon2,Lu Xiaoyun1ORCID

Affiliation:

1. International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education (MOE), Guangzhou City Key Laboratory of Precision Chemical Drug Development, School of Pharmacy, Jinan University, 855 Xingye Avenue, Guangzhou 510632, China

2. Center for Healthy Aging, Department of Cellular and Molecular Medicine, University of Copenhagen, Blegdamsvej 3B, 2200 Copenhagen, Denmark

3. Department of Biochemistry and Biophysics, Institute of Systems Biomedicine and Beijing Key Laboratory of Tumor Systems Biology, School of Basic Medical Sciences, Peking University Health Science Center, Beijing 100191, China

4. Auckland Cancer Society Research Centre, Faculty of Medical and Health Sciences and Maurice Wilkins Centre for Molecular Biodiscovery, The University of Auckland, Auckland 92019, New Zealand

5. State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macao 999078, China

Funder

Jinan University

National Natural Science Foundation of China

Natural Science Foundation of Guangdong Province

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

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