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Announcements
| Title | Date |
|---|---|
| CI Pathways: Leading the Way to Effective CI Use | 02/20/25 |
Upcoming Events & Trainings
| Title | Date |
|---|---|
| ACES: Introduction to the Drona Composer | 4/04/25 |
| NAIRR Pilot Office Hours | 4/08/25 |
| NAIRR Pilot Office Hours | 5/13/25 |
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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
Cesar Sul
University of Southern California
Programs
ACCESS CSSN, Campus Champions
Roles
mentor, research computing facilitator
Expertise
Chris Carothers
Rensselaer Polytechnic Institute
Programs
CAREERS
Roles
mentor, steering committee, regional admin
Expertise
Expertise
People with Interest
Lakitha Wijeratne
The University of Texas at Dallas
Programs
TRECIS
Roles
mentor, researcher/educator
Interests
Bala Desinghu
Harvard University
Programs
ACCESS CSSN, Campus Champions, CAREERS, Northeast
Roles
mentor, researcher/educator, research computing facilitator, cssn, Consultant
Interests
Eden Furtak-Cole
Desert Research Institute
Programs
Campus Champions
Roles
research computing facilitator
