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Knowledge Base Resources

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

Od Odbadrakh

University of Tennessee, Knoxville

Programs

ACCESS CSSN

Roles

researcher/educator, research computing facilitator

Placeholder headshot

Expertise

Wirawan Purwanto

Old Dominion University

Programs

Campus Champions, Northeast, ACCESS CSSN

Roles

mentor, research computing facilitator, cssn

Placeholder headshot

Expertise

+1 more tags

Xiaoge Wang

Michigan State University

Programs

Campus Champions

Roles

research computing facilitator

Placeholder headshot

Expertise

c
+55 more tags

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

Placeholder headshot

Interests

+47 more tags

Morgan Newton

Santa Monica College

Programs

ACCESS CSSN

Roles

student-facilitator

Picture of Morgan Newton

Interests

Timothy Middelkoop

Internet2

Programs

ACCESS CSSN, Campus Champions, CCMNet, Great Plains

Roles

mentor, regional facilitator, researcher/educator, research computing facilitator, CCMNet

Timothy Middelkoop (white male with short dark hair and glasses, he/him,his)

Interests