Molecular Dynamics Simulations for "Quasi-continuous cotranslational folding of a multidomain protein"

Molecular Dynamics Data for "Quasi-continuous cotranslational folding of a multidomain protein" Authors: Spyridoula Mitsikosta, Justin M. Westerfield1, Fátima Pardo-Avila, Michael Levitt, Gunnar von Heijne, Ane Metola This repository contains the MD simulation trajectories for three FLuc constructs: delta 4-80, delta 4-110, and delta 4-150. For each system, the corresponding input and topology files are also included. The following directories correspond to each of the simulated systems: - FLuc_d4-80: delta 4-80- FLuc_d4-110: delta 4-110- FLuc_d4-150: delta 4-150 Each of these folders contains: - The initial conformation after energy minimization (em.gro) and the corresponding topology file. - The three 1-microsecond trajectories used for analysis (xtc format, with frames recorded every 100 ps) and a corresponding PDB to open them. The following directory contains the input MDP files: - MDPS