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| Title | Category | Tags | Skill Level |
|---|---|---|---|
| ACCESS HPC Workshop Series | Learning | deep-learningmachine-learningneural-networks +12 more tags | Beginner, Intermediate |
| AHPCC documentary | Docs | loginbatch-jobsslurm +4 more tags | Beginner, Intermediate |
| Benchmarking with a cross-platform open-source flow solver, PyFR | Tool | finite-element-analysisbenchmarkingparallelization +6 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
Od Odbadrakh
University of Tennessee, Knoxville
Programs
ACCESS CSSN
Roles
researcher/educator, research computing facilitator
Expertise
Wirawan Purwanto
Old Dominion University
Programs
Campus Champions, Northeast, ACCESS CSSN
Roles
mentor, research computing facilitator, cssn
Expertise
Xiaoge Wang
Michigan State University
Programs
Campus Champions
Roles
research computing facilitator
Expertise
People with Interest
Iman Rahbari
University of Southern California
Programs
Campus Champions, ACCESS CSSN
Roles
mentor, researcher/educator, research computing facilitator, research software engineer, cssn
Interests
Interests
Timothy Middelkoop
Internet2
Programs
ACCESS CSSN, Campus Champions, CCMNet, Great Plains
Roles
mentor, regional facilitator, researcher/educator, research computing facilitator, CCMNet
