Titlebook: Optimization-based Molecular Dynamics Studies of SARS-CoV-2 Molecular Structures; Research on COVID- 1 Jiapu Zhang Book 2023 The Editor(s)

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合并

pulmonary-edema

https://doi.org/10.1007/978-3-031-36773-1Molecular dynamics; Protein structure; COVID; Bioinformatics; computational biochemistry; computational b

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占線

PLpro Binding with 12 Compounds,The papain-like protease (PLpro), a component of the large, multi-domain protein NSP3, is a cysteine protease essential for the replication of coronaviruses and thus a potential target for antivirals. This chapter confirms a binding site consisting of .-helices 5 and 8 and the strands 1, 2, 3, 4, and 7 of .-sheet-4 of PLpro monomer.

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Jiapu ZhangIncludes numerous color figures and tables for easy and reliable comprehension of the contents.Introduces reproducible Optimization, Molecular Dynamics and Biological Mathematics Modeling skills.Syste

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0932-2353 standing of molecular stability and the mechanism of action, it is essential to consider not only static NMR, X-ray, or cryo-EM structures but also dynamic information obtained through MD or Quantum Mechanics/M978-3-031-36775-5978-3-031-36773-1Series ISSN 0932-2353 Series E-ISSN 1868-2561