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We take S protein as the research focus and take coronavirus recombination as the exploration direction.
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| Coronavirus related | Phylodynamic analysis | Antiviral drug design | Computer-aided vaccine designn |
1.Network-based drug repurposing for novel coronavirus 2019-nCoV/SARS-CoV-2
2. Design, synthesis and molecular docking of novel triazole derivatives as potential CoV helicase inhibitors （ACTA PHARMACEUTICA， 2020）
3. Fast Identification of Possible Drug Treatment of Coronavirus Disease -19 (COVID-19) Through Computational Drug Repurposing Study. （Journal of chemical information and modeling， 2020）
4. Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach. （Journal of biomolecular structure & dynamics，2020）
5. Structure of Mpro from COVID-19 virus and discovery of its inhibitors. (Nature, 2020, Zihe Rao，Hualiang Jiang)
6. In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain） （Journal of biomolecular structure & dynamics， 2020）
7. Structural and molecular modelling studies reveal a new mechanism of action of chloroquine and hydroxychloroquine against SARS-CoV-2 infection. （International journal of antimicrobial agents， 2020）
8. Potential covalent drugs targeting the main protease of the SARS-CoV-2 coronavirus. （Bioinformatics， 2020）
9. A guideline for homology modeling of the proteins from newly discovered betacoronavirus, 2019 novel coronavirus (2019-nCoV) （JOURNAL OF MEDICAL VIROLOGY，2020）
10. Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors. （Science， 2020）
11. Molecular docking analysis of selected natural products from plants for inhibition of SARS-CoV-2 main protease. （CURRENT SCIENCE， 2020）
12. The potential chemical structure of anti-SARS-CoV-2 RNA-dependent RNA polymerase. （JOURNAL OF MEDICAL VIROLOGY，2020）
13. Therapeutic options for the 2019 novel coronavirus (2019-nCoV). （NATURE REVIEWS DRUG DISCOVERY， 2020）
14. Drug targets for corona virus: A systematic review. （INDIAN JOURNAL OF PHARMACOLOGY， 2020）
15. Molecular docking and dynamics simulation of FDA approved drugs with the main protease from 2019 novel coronavirus. （Bioinformation， 2020）
16. Predicting commercially available antiviral drugs that may act on the novel coronavirus (SARS-CoV-2) through a drug-target interaction deep learning model. （Computational and structural biotechnology journal， 2020）
17. MERS-CoV spike protein: a key target for antivirals. （EXPERT OPINION ON THERAPEUTIC TARGETS0， 2017）
18. Small molecules targeting viral RNA. （WILEY INTERDISCIPLINARY REVIEWS-RNA， 2016）
19. R-BIND: An Interactive Database for Exploring and Developing RNA Targeted Chemical Probes. （ACS CHEMICAL BIOLOGY， 2019）
20. Principles for targeting RNA with drug-like small molecules. （NATURE REVIEWS DRUG DISCOVERY， 2018）
21. Coronavirus main proteinase (3CL(pro)) structure: Basis for design of anti-SARS drugs. （SCIENCE，2003）
22. Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS. （BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS，2003）
23. Design of wide-spectrum inhibitors targeting coronavirus main proteases. (PLOS BIOLOGY, 2005)
24. Virtual screening for SARS-CoV protease based on KZ7088 pharmacophore pointst. (JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2004)
25. Progress in computational approach to drug development against SARS. (CURRENT MEDICINAL CHEMISTRY, 2006)
26. TargetCPP: accurate prediction of cell-penetrating peptides from optimized multi-scale features using gradient boost decision tree. (JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020)
27. iDrug-Target: predicting the interactions between drug compounds and target proteins in cellular networking via benchmark dataset optimization approach. (JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2015)
28. A 3D model of SARS_CoV 3CL proteinase and its inhibitors design by virtual screening. (ACTA PHARMACOLOGICA SINICA, 2003)
29. Molecular model of SARS coronavirus polymerase: Implications for biochemical functions and drug design. (NUCLEIC ACIDS RESEARCH, 2003)
30. iNR-Drug: Predicting the Interaction of Drugs with Nuclear Receptors in Cellular Networking. (INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2014)
31. Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. (JOURNAL OF VIROLOGY, 2012)
32. AVPpred: collection and prediction of highly effective antiviral peptides. (NUCLEIC ACIDS RESEARCH, 2012)
33. Anti-SARS drug screening by molecular docking. (Amino Acids , 2006)
34. Computational identification of inhibitors of protein-protein interactions. (CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2007)
35. AVPdb: a database of experimentally validated antiviral peptides targeting medically important viruses. (NUCLEIC ACIDS RESEARCH, 2014)
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37. Computational screening of known broad-spectrum antiviral small organic molecules for potential influenza HA stem inhibitors. (plos One, 2018)