administering-hpc
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hpc.social | High Performance Computing and related fields, including Big Data, Research Computing, and related hardware and software optimized for these fields, including research software engineering and… | Login to join | |
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Account and Access Management CI Facilitators | A group for CI and RCD professionals responsible for developing and maintaining the Account and Access Management solutions used at their institutions. Participants are invited to share and discuss… | Login to join |
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| Title | Category | Tags | Skill Level |
|---|---|---|---|
| Containerized Jupyter Notebooks for HPCs | Learning | cloud, cloud-computing, openstack, scratch, data-management, data-reproducibility, github, workflow, open-ondemand, administering-hpc, configuration-automation, hpc-getting-started, hpc-tools, deployment, scripting, conda, jupyterhub, programming-best-practices, python, mpi, containers, docker, singularity | Intermediate |
| High performance computing 101 | Website | administering-hpc | Beginner |
| Hour of Ci | Learning | arcgis, gis, administering-hpc | 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
Expertise
People with Interest
Interests
Manas Vishal
University of Massachusetts, Dartmouth
Programs
CAREERS, Northeast, CCMNet
Roles
student-facilitator, CCMNet
Interests
Torey Battelle
Arizona State University
Programs
Campus Champions, CCMNet
Roles
mentor, regional facilitator, research computing facilitator, Affinity Group Leader, regional admin, CCMNet PM, CCMNet
