Affinity Groups
There are no Affinity Groups associated with this topic. View All Affinity Groups.
Announcements
| Title | Date |
|---|---|
| Ookami Webinar | 02/14/24 |
| Request for Proposals for Anton 2 | 05/09/23 |
Upcoming Events & Trainings
No events or trainings are currently scheduled.
Topics from Ask.CI
Loading topics from Ask.CI...
Knowledge Base Resources
| Title | Category | Tags | Skill Level |
|---|---|---|---|
| CHARMM Links to Install, Run, and Troubleshoot MD Simulations | Learning | charmmmolecular-dynamicsnamd +1 more tags | Beginner, Intermediate |
| Molecular Dynamics Tutorials for Beginner's | Learning | cloud-computingambercharmm +4 more tags | Beginner |
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
Expertise
Swabir Silayi
George Mason University
Programs
ACCESS CSSN, CCMNet, Campus Champions
Roles
mentor, research computing facilitator, cssn, Consultant, CCMNet
Expertise
People with Interest
Arun Sharma
California State University-Monterey Bay
Programs
Campus Champions
Roles
mentor, research computing facilitator
Interests
Interests
Daniel Morales
Florida International University
Programs
Campus Champions
Roles
research computing facilitator, student champion
