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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: 
  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

Calloway Sutton

Indiana University

Programs

ACCESS CSSN

Roles

cssn

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Amit Amritkar

Programs

ACCESS CSSN, CCMNet

Roles

CCMNet

Amit

Expertise

Daniel Howard

University Corporation for Atmospheric Research

Programs

ACCESS CSSN, Campus Champions, CCMNet

Roles

mentor, research computing facilitator, research software engineer, CCMNet

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c
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People with Interest

Fernando Garzon

University of California, San Diego

Programs

ACCESS CSSN

Roles

mentor, research software engineer, Affinity Group Leader

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Roy Prouty

Programs

ACCESS CSSN

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Juanjo Garcia Mesa

Arizona State University

Programs

Campus Champions, CCMNet, ACCESS CSSN

Roles

mentor, CampusChampionsAdmin, research computing facilitator, research software engineer, cssn, Affinity Group Leader, CCMNet

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Interests