title: Interaction of N-3-oxododecanoyl homoserine lactone with transcriptional regulator LasR of Pseudomonas aeruginosa: Insights from molecular docking and dynamics simulations
author: Hovakim Grabski
description: Dataset and supplementary files of the research: Interaction of N-3-oxododecanoyl homoserine lactone with transcriptional regulator LasR of Pseudomonas aeruginosa: Insights from molecular docking and dynamics simulations (https://doi.org/10.1101/121681) - Supporting Information - Input: Parameters and initial structures - Output: Trajectories, Docking poses Gromacs (multi-core with CUDA) was used for the simulations. Autodock Vina, FlexAid and rDock were used for molecular docking.