administering-hpc
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| Logo | Name | Description | Tags | 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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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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Knowledge Base Resources
| 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
Jonathan Komperda
University of Illinois at Chicago
Programs
Campus Champions
Roles
research computing facilitator
Expertise
Nannan Shan
Purdue University
Programs
CCMNet, ACCESS CSSN
Roles
mentor, researcher/educator, research computing facilitator, research software engineer, cssn, Affinity Group Leader, Consultant, CCMNet
Expertise
Expertise
People with Interest
Interests
Jacob Fosso Tande
North Carolina State University
Programs
ACCESS CSSN, Campus Champions, CCMNet
Roles
researcher/educator, research computing facilitator, Affinity Group Leader, Consultant, CCMNet
Interests
Dr. Nabeel Alzahrani
California State University-San Bernardino
Programs
Campus Champions, CCMNet
Roles
mentor, researcher/educator, research computing facilitator, research software engineer, ci systems engineer, CCMNet
