/tools/CDR_MD_simulations
CDR_MD_simulations
oxpig/CDR_MD_simulations
1 stars1 forksJupyter NotebookAdded February 5, 2026
summary
This repository contains supporting material and code for conducting large-scale molecular dynamics simulations of CDR loops in antibodies and TCRs. It includes Jupyter notebooks for analysis, datasets, and scripts for setting up and running simulations.
description
Supporting material and code for the manuscript: "Cagiada M, et.al., Uncovering the flexibility of CDR loops in antibodies and TCRs through large-scale molecular dynamics (2025)"
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