optimization
Mentors and Regional Facilitators
| Name | Region | Skills | Interests |
|---|---|---|---|
| Aaron Jezghani | Campus Champions | ||
| Andrew Monaghan | ACCESS CSSN | ||
| Christopher Bl… | Campus Champions | ||
| Bala Desinghu | ACCESS CSSN, Campus Champions, CAREERS, Northeast | ||
| Daniel Benedict | CCMNet | ||
| Daniel Howard | ACCESS CSSN, Campus Champions, CCMNet, RMACC | ||
| David Liu | CCMNet | ||
| Darshan Sarojini | ACCESS CSSN | ||
| Edwin Posada | Campus Champions | ||
| Gil Speyer | ACCESS CSSN, RMACC, Campus Champions | ||
| Jeff Falgout | Campus Champions, RMACC | ||
| Jonathan Komperda | Campus Champions | ||
| Jason Wells | ACCESS CSSN, Campus Champions | ||
| Jason Yalim | Campus Champions | ||
| Katia Bulekova | ACCESS CSSN, Campus Champions, CAREERS, CCMNet, Northeast | ||
| Mohsen Ahmadkhani | CCMNet, ACCESS CSSN | ||
| Mohammadreza H… | Campus Champions | ||
| Michael Puerrer | Campus Champions, Northeast | ||
| Maryam Taeb | |||
| Justin Oelgoetz | Campus Champions, CCMNet | ||
| Paul Rulis | Campus Champions | ||
| Rebecca Belshe | Campus Champions, CCMNet | ||
| Ron Rahaman | Campus Champions | ||
| Xiaoqin Huang | ACCESS CSSN | ||
| Liwen Shih | Campus Champions, ACCESS CSSN, CCMNet | ||
| Mohammad Al-Tahat | CAREERS, Campus Champions, CCMNet | ||
| Xiaoge Wang | Campus Champions |
Affinity Groups
| Logo | Name | Description | Tags | Join |
|---|---|---|---|---|
|
Structural Biology OOD Apps | This group is for researchers and support staff using structural biology tools like RELION, cryoSPARC, PHENIX, IMOD, and others through Open OnDemand. Whether you're optimizing workflows,… | Login to join |
Announcements
| Title | Date |
|---|---|
| TACC Summer Institute for Applied Parallel Programming | 05/16/25 |
Upcoming Events & Trainings
| Title | Date |
|---|---|
| TACC Summer Institute for Applied Parallel Programming | 6/02/25 |
| COMPLECS: Code Migration | 6/12/25 |
| COMPLECS: Code Migration | 6/12/25 |
Topics from Ask.CI
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Knowledge Base Resources
| Title | Category | Tags | Skill Level |
|---|---|---|---|
| Advanced Compilers: The Self-Guided Online Course | Learning | optimization, parallelization, training, compiling | Advanced |
| Advanced Mathematical Optimization Techniques | Learning | optimization, python | Beginner, Intermediate, Advanced |
| Fine-tuning LLMs with PEFT and LoRA | Video | faster, optimization, performance-tuning, tuning | 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:
- 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.
- 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.
- Modify, improve, and optimize the overall or full antibody protein structures using AI-driven macromolecule modeling (AlphaFold3).
- 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
Expertise
Justin Oelgoetz
Austin Peay State University
Programs
Campus Champions, CCMNet
Roles
mentor, researcher/educator, research computing facilitator, CCMNet
Expertise
Katia Bulekova
Boston University
Programs
ACCESS CSSN, Campus Champions, CAREERS, CCMNet, Northeast
Roles
mentor, research computing facilitator, CCMNet
Expertise
People with Interest
Interests
Interests
Wirawan Purwanto
Old Dominion University
Programs
Campus Champions, Northeast, ACCESS CSSN
Roles
mentor, research computing facilitator, cssn