Affinity Groups
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Announcements
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| CI Pathways: Leading the Way to Effective CI Use | 02/20/25 |
Upcoming Events & Trainings
| Title | Date |
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| Intro to Supercomputing - Duke IEEE Chapter X ACCESS | 4/05/25 |
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| COMPLECS: Linux Shell Scripting | 4/17/25 |
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Knowledge Base Resources
| Title | Category | Tags | Skill Level |
|---|---|---|---|
| ACES: Charliecloud Containers for Scientific Workflows (Tutorial) | Learning | ACESTAMUscratch +10 more tags | Beginner |
| AHPCC documentary | Docs | loginbatch-jobsslurm +4 more tags | Beginner, Intermediate |
| AI/ML TechLab - Accelerating AI/ML Workflows on a Composable Cyberinfrastructure | Docs | ACESdocumentationTAMU +19 more tags | Intermediate |
Engagements
Re-engineering Lilly’s KisunlaTM into a novel antibody targeting IL13RA2 against GBM using AI-driven macromolecular modeling
Atrium Health Levine Cancer
- Summary and objectives of the proposed experiments:
- An initial research-based Ab (scFv47, discovered by our collaborator Dr. Balyasnikova) model, modeling Ab-Ag (IL13RA2 against GBM) protein complex, and identifying the binding sites (epitopes) using ROSETTA and AlphaFold2 multimer tools.
- Graft the CDRs of scFv (single-chain variable fragment) of antibody or Bispecific T cell engagers (BTEs) onto the template Ab, the framework of Lilly's Kisunla™ Ab drug.
- Modify, improve, and optimize the overall or full antibody protein structures using AI-driven macromolecule modeling (AlphaFold3).
- Explore single nucleotide polymorphism (SNP), pathogenic genetic variants and N-glycosylation of IL13RA2 (target) protein domain interacting with the Ab candidates among the patient population using ROSETTA software packages.
Status: In Progress
People with Expertise
Expertise
Expertise
Gaurav Khanna
University of Rhode Island
Programs
Campus Champions, CAREERS, Northeast
Roles
mentor, regional facilitator, researcher/educator, research computing facilitator, Affinity Group Leader, steering committee
Expertise
People with Interest
Od Odbadrakh
University of Tennessee, Knoxville
Programs
ACCESS CSSN
Roles
researcher/educator, research computing facilitator
Interests
Jonathan Lyon
Murray State University
Programs
At-Large, Campus Champions, Kentucky, ACCESS CSSN
Roles
mentor, researcher/educator, cssn
Interests
Timothy Middelkoop
Internet2
Programs
ACCESS CSSN, Campus Champions, CCMNet, Great Plains
Roles
mentor, regional facilitator, researcher/educator, research computing facilitator, CCMNet
