Our philosophy in CHARMM-GUI development is less about providing the nuts and bolts of molecular modeling, but instead focused on helping users to achieve a task, such as building a membrane system or solvating a protein, by providing a streamlined interface. This design principle helps us to think of the workflow critically when designing the interface, which leads CHARMM-GUI to be accessible to users with little experience in modeling tools and remains useful to experts, especially for batch generation of systems. CHARMM-GUI has been used by many researchers, and it is a well-recognized tool in the molecular modeling and simulation communities (see Google Scholar Citations).
The CHARMM-GUI development project is still ongoing. These functionalities are not only based on requests from general users and developers, but also on an emerging need for a unified platform to prepare and execute various advanced simulation approaches that have been developed and will be developed by many developers in diverse simulation communities and packages. CHARMM-GUI will continue to help expert and non-expert researchers from a broader range of the modeling and simulation community to build the complex molecular systems of their interest and prepare the input files for any general and advanced modeling and simulation through the large and unique scope of CHARMM-GUI functionality. It will also provide an effective one-stop online resource for the biomedical research community to carry out innovative and novel molecular modeling and simulation research.
Visit our COVID-19 Archive for collection of SARS-CoV-2 protein systems.
Follow CHARMM-GUI on Twitter: https://twitter.com/CharmmGui.
