Affinity Groups
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| CI Pathways: Leading the Way to Effective CI Use | 02/20/25 |
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| 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
Jacob Fosso Tande
North Carolina State University at Raleigh
Programs
Campus Champions
Roles
researcher/educator, CampusChampionsAdmin, research computing facilitator, Affinity Group Leader
Expertise
Expertise
People with Interest
Widodo Samyono
Jarvis Christian College
Programs
Campus Champions, CCMNet
Roles
researcher/educator, research computing facilitator, CCMNet
Interests
Interests
Timothy Middelkoop
Internet2
Programs
ACCESS CSSN, Campus Champions, CCMNet, Great Plains
Roles
mentor, regional facilitator, researcher/educator, research computing facilitator, CCMNet
