Affinity Groups
| Logo | Name | Description | Tags | Join |
|---|---|---|---|---|
|
Structural Biology OOD Apps | This group is for researchers and support staff using structural biology tools like RELION, cryoSPARC, PHENIX, IMOD, and others through Open OnDemand. Whether you're optimizing workflows,… | optimizationstructural-biologyopen-ondemand | Login to join |
Announcements
| Title | Date |
|---|---|
| TACC Summer Institute for Applied Parallel Programming | 05/16/25 |
Upcoming Events & Trainings
| Title | Date |
|---|---|
| TACC Summer Institute for Applied Parallel Programming | 6/02/25 |
| COMPLECS: Code Migration | 6/12/25 |
| COMPLECS: Code Migration | 6/12/25 |
Topics from Ask.CI
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Knowledge Base Resources
| Title | Category | Tags | Skill Level |
|---|---|---|---|
| Advanced Compilers: The Self-Guided Online Course | Learning | optimizationparallelizationtraining +1 more tags | Advanced |
| Advanced Mathematical Optimization Techniques | Learning | optimizationpython | Beginner, Intermediate, Advanced |
| Fine-tuning LLMs with PEFT and LoRA | Video | fasteroptimizationperformance-tuning +1 more tags | Intermediate, Advanced |
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
Parameshwaran Pasupathy
Rutgers, the State University of New Jersey
Programs
ACCESS CSSN, CAREERS, CCMNet
Roles
student-facilitator, CCMNet
Expertise
Expertise
People with Interest
Justin Oelgoetz
Austin Peay State University
Programs
Campus Champions, CCMNet
Roles
mentor, researcher/educator, research computing facilitator, CCMNet
Interests
Interests