Welcome you
Welcome undergraduate students to join our research team, and welcome graduate students to conduct collaborative research with us.
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We perform bioinformatics and computer-aided drug design research, use computational methods to study biology, and computer-aided drug design. We sincerely invite students from all majors of our university to cooperate with us in scientific research. We especially welcome junior and senior undergraduates to cooperate with us. There is no limit to your major, and there is no limit to programming ability. But a certain basic knowledge of biology is required.
We especially welcome students with majors in biological sciences, biotechnology, marine biology, aquaculture, and animal medicine to join our research team.
Whether you are doing your undergraduate thesis in your senior year, or in your first year or sophomore year, if you want to do scientific research and publish your thesis, we welcome you to join our research team.
We also welcome master students and doctoral students to conduct collaborative research with us.
Our current research topics:
A. The molecular evolution of coronavirus
1. Research on the mechanism of cross-species transmission of bat coronavirus;
2. Research on the molecular evolution and recombination characteristics of the coronavirus genome;
3. The phylogenetic dynamics of the SARS-cov-2 virus genome.
B. Computer-aided drug design for the new coronavirus
1. Virtual screening of SARS-cov-2 main protease (3-CL-p, nsp5) inhibitors;
2. Research on SARS-cov-2 variation characteristics based on molecular docking and molecular dynamics simulation technology;
3. Molecular docking and kinetic simulation of SARS-cov-2 main protease (n3-CL-p, sp5) and FDA approved drugs;
4. Virtual screening of inhibitors based on the crystal structure of SARS-cov-2 helicase (nsp13);
5. The homology modeling of SARS-cov-2 non-structural protein (nsp10) and virtual screening of inhibitors;
6. Evaluation of the active site of the non-structural protein (NSP1-NSP16) encoded by SARS-cov-2 ORF1ab;
7. Virtual screening of inhibitors based on the crystal structure of SARS-cov-2 non-structural proteins (RdRp, nsp12);
8. SARS-cov-2 non-structural protein (nsp14) pharmacophore model construction and virtual drug screening;
9. Research on the interaction between SARS-cov-2 S protein and human receptor ACE2 based on molecular docking technology and molecular dynamics simulation;
10. Drug design for SARS-cov-2 non-structural protein (nsp16) target based on deep learning.
C. Discovery of G protein coupled receptor drug targets
1. Molecular docking and molecular dynamics simulation of beclomethasone dipropionate small molecule and adhesion GPCRsG protein-coupled receptor;
2. Molecular docking and molecular dynamics simulation of ezetimibe small molecules and adhesion G protein-coupled receptors;
3. Molecular docking and molecular dynamics simulation of flunarizine small molecules and adhesion G protein-coupled receptors;
4. Molecular docking and molecular dynamics simulation of zeranol small molecules and adhesion G protein-coupled receptors;
5. Molecular docking and molecular dynamics simulation of 3-α-acetoxydihydrodeoxygedunin small molecules and adhesionG protein-coupled receptors;
6. Molecular docking and molecular dynamics simulation of dihydromunduletone small molecules and adhesion G protein-coupled receptors;
7. Molecular docking and molecular dynamics simulation of synaptamide small molecule and adhesion G protein-coupled receptor;
8. Molecular docking and molecular dynamics simulation of anandamide small molecules and adhesion G protein-coupled receptors.
9. Based on molecular dynamics simulation, type A G protein coupling was discovered by lead compounds;
10. Discovery of adhesionG protein-coupled receptor drug targets based on deep learning.
D. Target recognition and prediction of anti-aging drugs
1. Research on target prediction of anti-aging drug senolytics
2. Target prediction of 2-ketoglutaric acid (2-ketoglutaric acid) based on reverse molecular docking
E. Cancer target screening
Molecular docking of 4-hydroxyacetophenone with non muscle myosin
Cooperative research communication method: offline group meeting discussion, and online meeting (Tencent Meeting)
Cooperative computing resources: remotely login to our Linux server
Contact: Peng Sihua
shpeng@shou.edu.cn
WeChat: Thales2019