Computer-aided screening for potential TMPRSS2 inhibitors: a combination of pharmacophore modeling, molecular docking and molecular dynamics simulation approaches
Author:
Affiliation:
1. School of Life Sciences, University of Science and Technology of China, Hefei, Anhui, China
2. Department of Biochemistry, Faculty of Life Sciences, University of Ilorin, Ilorin, Nigeria
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1792346
Reference78 articles.
1. On the approximation of largest common subtrees and largest common point sets
2. PAINS: Relevance to Tool Compound Discovery and Fragment-Based Screening
3. Toward the estimation of the absolute quality of individual protein structure models
4. 3Drefine: an interactive web server for efficient protein structure refinement
5. SWISS-MODEL: modelling protein tertiary and quaternary structure using evolutionary information
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