administering-hpc

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Knowledge Base Resources

Title Category Tags Skill Level
High performance computing 101 Website administering-hpc Beginner
Hour of Ci Learning arcgisgisadministering-hpc Beginner
Open OnDemand Website open-ondemandadministering-hpccluster-management +4 more tags Beginner, Intermediate, Advanced

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

William Lai

Cornell University

Programs

ACCESS CSSN

Roles

mentor, researcher/educator, research computing facilitator, research software engineer, ci systems engineer, Consultant

William KM Lai

Expertise

James Afful

Iowa State University

Programs

ACCESS CSSN

Roles

cssn, CIP

profile picture of James Afful-Iowa State University- Computational Fluid Mechanics

Expertise

Michael Schnaitter

Programs

ACCESS CSSN

Roles

research computing facilitator, ci systems engineer, cssn

Placeholder headshot

Expertise

People with Interest

Joshua Winchell

Texas A&M University

Programs

ACCESS CSSN, CCMNet

Roles

cssn, CCMNet

Josh Winchell

Interests

Mohsen Ahmadkhani

Programs

CCMNet, ACCESS CSSN

Roles

student-facilitator, mentor, cssn, CCMNet

Mohsen Ahmadkhani

Interests

William Lai

Cornell University

Programs

ACCESS CSSN

Roles

mentor, researcher/educator, research computing facilitator, research software engineer, ci systems engineer, Consultant

William KM Lai

Interests