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| Title | Category | Tags | Skill Level |
|---|---|---|---|
| Containerized Jupyter Notebooks for HPCs | Learning | cloud, cloud-computing, openstack, scratch, data-management, data-reproducibility, github, workflow, open-ondemand, administering-hpc, configuration-automation, hpc-getting-started, hpc-tools, deployment, scripting, conda, jupyterhub, programming-best-practices, python, mpi, containers, docker, singularity | 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
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People with Interest
Manas Vishal
University of Massachusetts, Dartmouth
Programs
CAREERS, Northeast, CCMNet
Roles
student-facilitator, CCMNet
Interests
William Lai
Cornell University
Programs
ACCESS CSSN
Roles
mentor, researcher/educator, research computing facilitator, research software engineer, ci systems engineer, Consultant
Interests
Matthew Chung
University of California, Riverside
Programs
ACCESS CSSN, CCMNet
Roles
research computing facilitator, ci systems engineer, cssn, CCMNet