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About
President
Governance
Partner Institutions
Visit
People
Management
Faculty
Postdocs
Visiting Scholars
Staff
Research
Research Groups
Courses
Seminars
Join Us
Faculty
Postdocs
Students
Events
Conferences
Workshops
Forum
Life @ BIMSA
Accommodation
Transportation
Facilities
Tour
News
News
Announcement
Downloads
Qiuzhen College, Tsinghua University
Yau Mathematical Sciences Center, Tsinghua University (YMSC)
Tsinghua Sanya International  Mathematics Forum (TSIMF)
Shanghai Institute for Mathematics and  Interdisciplinary Sciences (SIMIS)
BIMSA > Seminar on Bioinformatics Prediction of binding free energy changes of viral surface proteins and host receptor proteins
Prediction of binding free energy changes of viral surface proteins and host receptor proteins
Organizer
Shing Toung Yau
Speaker
Ruohan Ren
Time
Tuesday, September 6, 2022 3:30 PM - 4:00 PM
Venue
Online
Online
Tencent 801 3489 7723 ()
Abstract
Protein-protein interactions play an important role in many aspects such as virus infection and immune response. Although there are experimental methods for determining the structure of protein complexes, the experimental methods are time-consuming and labor-intensive, and are difficult to apply in large-scale screening. This project hopes to use the method of extended natural vector to extract the information of the protein-protein binding region, combine some molecular dynamics or topology information, and then use the deep learning method to analyze the protein-protein binding free energy changes after single or multiple point mutation. Then we hope to apply the method to the SARS-CoV-2, HIV and Ebola viruses. This helps greatly improve the efficiency of the optimal design of antiviral drugs. In this report, we mainly introduce the overall ideas and data types.
Beijing Institute of Mathematical Sciences and Applications
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