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Advanced Compilers: The Self-Guided Online Course Learning optimizationparallelizationtraining +1 more tags Advanced
Advanced Mathematical Optimization Techniques Learning optimizationpython Beginner, Intermediate, Advanced
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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: 
  1. 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.
  2. 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.
  3. Modify, improve, and optimize the overall or full antibody protein structures using AI-driven macromolecule modeling (AlphaFold3).
  4. 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

Darshan Sarojini

Virginia Polytechnic Institute and State University

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mentor, researcher/educator

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Sean Anderson

Wake Forest University

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student-facilitator, mentor, research computing facilitator, CCMNet

Sean Anderson

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Parameshwaran Pasupathy

Rutgers University - New Brunswick

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People with Interest

Kyle Randall

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CCMNet

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CCMNet

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Alexandra Lamtyugina

University of Chicago

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student-facilitator

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