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CHARMM is a versatile program for atomic-level simulation of
many-particle systems, particularly macromolecules of
biological interest. - M. Karplus



about us :: input generator :: Q&A :: forum :: archive :: lectures :: movie
gallery :: video demo :: citations :: update log :: jobs & events :: giving
Some lectures, job postings, and FAQ are now available. See update log for
update history and giving for donation. Contact info is given below. Login


CHARMM-GUI

 * About Us
 * Input Generator
 * Questions & Answers
 * Archive
 * CHARMM Docs
 * Lectures
 * Movie Gallery
 * Video Demo
 * Citations
 * Update Log
 * Jobs & Events
 * Giving
 * ST-analyzer


GEOGRAPHICAL VISITORS

Front Page
Since its original development in 2006, CHARMM-GUI has proven to be an ideal
web-based platform to interactively build complex systems and prepare their
inputs with well-established and reproducible simulation protocols for
state-of-the-art molecular simulations using widely used simulation packages
such as CHARMM, NAMD, GROMACS, AMBER, GENESIS, Tinker, LAMMPS, Desmond, and
OpenMM. The CHARMM-GUI development project has been widely adopted for various
purposes and now contains a number of different modules designed to set up a
broad range of molecular simulation systems in Input Generator. Many original
modules were developed as an in-house effort, but we have established close
collaborations with the developers of CHARMM and other MD simulation packages
for addition of newer modules.


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.


Lehigh University / Department of Biological Sciences / Department of Chemistry
/ Department of Bioengineering / Im Lab
Problems, Questions, & Comments? / Contact / Forum / Copyright(c) 2006-2024 by
the Im Lab



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