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  1. ic50-studio ic50-studio Public

    Dose-response and IC50 analysis app with model comparison and publication-ready plots

    R

  2. MD-lipopeptide-bilayer-tutorial MD-lipopeptide-bilayer-tutorial Public

    End-to-end AMBER protocol to simulate N-acylated peptides (lipopeptides) in bacterial membranes using Lipid21 & PACKMOL-Memgen.

    M4

  3. StructClustR StructClustR Public

    Shiny app for structural clustering of molecules based on RMSD and k-means. It allows users to upload .cif or .pdb files, explore MDS plots, and download representative structures from each cluster…

    R

  4. ShineMD ShineMD Public

    ShineMD is an automated pure-R Shiny platform with a graphical user interface for integrated analysis of AMBER molecular dynamics trajectories.

    R 1