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Announcements
| Title | Date |
|---|---|
| CI Pathways: Leading the Way to Effective CI Use | 02/20/25 |
Upcoming Events & Trainings
| Title | Date |
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| COMPLECS: Code Migration | 6/12/25 |
| COMPLECS: Code Migration | 6/12/25 |
| COMPLECS: Code Migration | 6/12/25 |
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Knowledge Base Resources
| Title | Category | Tags | Skill Level |
|---|---|---|---|
| ACES: Charliecloud Containers for Scientific Workflows (Tutorial) | Learning | ACES, TAMU, scratch, lammps, tensorflow, open-ondemand, gpu, nfs, slurm, bash, training, python, containers | Beginner |
| AHPCC documentary | Docs | login, batch-jobs, slurm, bash, ssh, python, mpi | Beginner, Intermediate |
| AI/ML TechLab - Accelerating AI/ML Workflows on a Composable Cyberinfrastructure | Docs | ACES, documentation, TAMU, ai, visualization, deep-learning, machine-learning, neural-networks, login, authentication, composable-systems, gpu, nvidia, slurm, bash, modules, vim, anaconda, conda, programming, python, scikit-learn | 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
Daniel Morales
Florida International University
Programs
Campus Champions
Roles
research computing facilitator, student champion
Expertise
David Carlson
SUNY at Stony Brook
Programs
ACCESS CSSN, OnDemand
Roles
researcher/educator, research computing facilitator, cssn, Affinity Group Leader
Expertise
Expertise
People with Interest
Sue Oldenburg
Rutgers University
Programs
Campus Champions
Roles
research computing facilitator, Affinity Group Leader
Interests
Interests
Fernando Garzon
University of California, San Diego
Programs
ACCESS CSSN
Roles
mentor, research software engineer
