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Affinity Groups
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Announcements
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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
Jacob Fosso Tande
North Carolina State University
Programs
ACCESS CSSN, Campus Champions, CCMNet
Roles
researcher/educator, research computing facilitator, Affinity Group Leader, Consultant, CCMNet
Expertise
Xiaoge Wang
Michigan State University
Programs
Campus Champions
Roles
research computing facilitator
Expertise
Martin Cuma
University of Utah
Programs
RMACC, Campus Champions
Roles
mentor, research computing facilitator
Expertise
People with Interest
Arun Sharma
California State University-Monterey Bay
Programs
Campus Champions
Roles
mentor, research computing facilitator
Interests
Paul Rulis
University of Missouri-Kansas City
Programs
Campus Champions
Roles
researcher/educator, research computing facilitator
Interests