Structural and energetic features of the dimerization of the main proteinase of SARS-CoV-2 using molecular dynamic simulations.

Zhang, Yunju; Zheng, Liangzhen; Yang, Yanmei; Qu, Yuanyuan; Li, Yong-Qiang; Zhao, Mingwen; Mu, Yuguang; Li, Weifeng

Zhang, Yunju; Zheng, Liangzhen; Yang, Yanmei; Qu, Yuanyuan; Li, Yong-Qiang; Zhao, Mingwen; Mu, Yuguang; Li, Weifeng.

Afiliação

Zhang Y; School of Physics, Shandong University, Jinan, Shandong, 250100, China.
Zheng L; Tencent AI Lab, Shenzhen, Guangdong, 518000, China.
Yang Y; College of Chemistry, Chemical Engineering and Materials Science, Collaborative Innovation Center of Functionalized Probes for Chemical Imaging in Universities of Shandong, Key Laboratory of Molecular and Nano Probes, Ministry of Education, Shandong Normal University, Jinan, 250014, China.
Qu Y; School of Physics, Shandong University, Jinan, Shandong, 250100, China.
Li YQ; School of Physics, Shandong University, Jinan, Shandong, 250100, China.
Zhao M; School of Physics, Shandong University, Jinan, Shandong, 250100, China.
Mu Y; School of Biological Sciences, Nanyang Technological University, Singapore, 637650, Singapore. ygmu@ntu.edu.sg.
Li W; School of Physics, Shandong University, Jinan, Shandong, 250100, China.

Phys Chem Chem Phys ; 24(7): 4324-4333, 2022 Feb 16.

Article em En | MEDLINE | ID: mdl-35107451

Assuntos

Proteases 3C de Coronavírus/química; SARS-CoV-2/enzimologia; COVID-19; Humanos; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Pandemias; Multimerização Proteica

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Proteases 3C de Coronavírus / SARS-CoV-2 Limite: Humans Idioma: En Revista: Phys Chem Chem Phys Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: China

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