Source data and molecular dynamics simulation data for: Folding of parallel G-quadruplexes and their G-vacant analogs: loop-dependent kinetic trapping and modulation by dGMP

This repository contains the source data underlying the main-text figures (Figures 1–7) and the molecular dynamics (MD) simulation data associated with the manuscript. FILES IN THIS REPOSITORY 1. README.txt Overview of the dataset and repository structure. 2. Source_Data_Figures_1-6.xlsx Experimental source data underlying the main-text figures, organized into individual sheets (see the README sheet inside the workbook for a complete index of sheets and variables). 3. Figure7_data.zip Source data underlying main-text Figure 7, containing two PDB structures (Figure 7A) and planarity graph data (Figure 7B). 4. MD_simulations_data.zip Archive containing the molecular dynamics simulation files: - input_files - MD_parameters - MD_starting_models - MD_trajectories (Descriptions and usage instructions are provided in the README files inside input_files/, MD_parameters/, and MD_trajectories/.) CONTACTFor questions regarding the experimental data, please contact: [e-mail] questions regarding the MD simulations, please contact: [e-mail]