Provides a user-friendly interface for the preparation, submission, monitoring, and visualization of molecular simulations. CHARMMing is a web portal for the CHARMM macromolecular modeling package. It was designed to facilitate the preparation, execution, and visualization of molecular simulations. CHARMMing contains a set of tools for uploading protein structures or retrieving them from the Protein Data Bank (PDB), performing energy minimizations and simulations, solvation, and viewing the results.
Laboratory of Computational Biology, National Heart Lung and Blood Institute, National Institutes of Health, Bethesda, MD, USA; Center for Molecular Modeling, National Institute of Chemistry, Ljubljana, Slovenia
CHARMMing funding source(s)
This research was supported by the Intramural Research Program of the NIH, NHLBI.