optimization

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Title Date
Python for HPC 9/09/25
Python for HPC 9/09/25
Python for HPC 9/09/25

Topics from Ask.CI

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Knowledge Base Resources

Title Category Tags Skill Level
Advanced Compilers: The Self-Guided Online Course Learning optimizationparallelizationtraining +1 more tags Advanced
Advanced Mathematical Optimization Techniques Learning optimizationpython Beginner, Intermediate, Advanced
Fine-tuning LLMs with PEFT and LoRA Video fasteroptimizationperformance-tuning +1 more tags 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

Mohsen Ahmadkhani

Programs

CCMNet, ACCESS CSSN

Roles

student-facilitator, mentor, cssn, CCMNet

Mohsen Ahmadkhani

Expertise

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Alexandra Lamtyugina

University of Chicago

Programs

ACCESS CSSN

Roles

student-facilitator

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Expertise

Doruk Alp MUTLU

Michigan State University

Programs

ACCESS CSSN

Roles

student-facilitator

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Expertise

People with Interest

Liwen Shih

University of Houston-Clear Lake

Programs

Campus Champions, ACCESS CSSN, CCMNet

Roles

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

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Interests

Alexandra Lamtyugina

University of Chicago

Programs

ACCESS CSSN

Roles

student-facilitator

Photo of Alexandra Lamtyugina

Interests

Mohsen Ahmadkhani

Programs

CCMNet, ACCESS CSSN

Roles

student-facilitator, mentor, cssn, CCMNet

Mohsen Ahmadkhani

Interests