Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

CHARMM-GUI: a web-based graphical user interface for CHARMM.

Sunhwan Jo, Taehoon Kim, Vidyashankara G Iyer

    Journal of Computational Chemistry
    |March 21, 2008
    PubMed
    Summary
    This summary is machine-generated.

    Related Concept Videos

    You might also read

    Related Articles

    Articles linked to this work by shared authors, journal, and citation graph.

    Sort by
    Same author

    Marital Satisfaction and Frailty in Later Life: Asymmetric, Gendered, and Distributional Associations.

    Journal of applied gerontology : the official journal of the Southern Gerontological Society·2026
    Same author

    Low-dose Intraventricular Recombinant Tissue Plasminogen Activator (rtPA) Priming Combined with Neuroendoscopic Lavage and Continuous Ventricular Irrigation for Severe Preterm Intraventricular Hemorrhage : A Technical Note.

    Journal of Korean Neurosurgical Society·2026
    Same author

    Explainable VQA-based ladder safety monitoring for fall-risk prevention on construction sites.

    Journal of safety research·2026
    Same author

    Path-Decoupled Cation-Eutaxy III-V van der Waals Memristive Semiconductors for Mitigating the Neuromorphic Accuracy-Energy Trade-off.

    Advanced materials (Deerfield Beach, Fla.)·2026
    Same author

    Covert communications in a downlink time division multiple access system.

    Scientific reports·2026
    Same author

    Corrugated horn antenna with perforated dielectric lens for radar-based level sensing in high-temperature, high-pressure environments.

    Scientific reports·2026
    Same journal

    How Do DICER1 Syndrome Mutations Disrupt Catalysis? Unveiling Dicer Metal Binding Architecture and Mechanism of Action Using MD Simulations and QM/MM Calculations.

    Journal of computational chemistry·2026
    Same journal

    Quadruple Bonding of Alkaline Earth Atoms in AeCLi<sub>4</sub> (Ae = Be - Ba) Complexes.

    Journal of computational chemistry·2026
    Same journal

    From SMILES Codes for Reactants and Products to Transition States With VeloxChem.

    Journal of computational chemistry·2026
    Same journal

    Electric-Field Effects on Structure and Conductance in a Cytochrome b<sub>562</sub> Junction.

    Journal of computational chemistry·2026
    Same journal

    Quantum Chemistry Study of Luminescence Quenching in the Eu<sup>3+</sup>@UiO-67 Sensor Induced by Ag<sup>+</sup> Ions.

    Journal of computational chemistry·2026
    Same journal

    Projection-Modified Direct Inversion in the Iterative Subspace: A Memory-Efficient Convergence Method for the Extended Molecular Ornstein-Zernike Theory.

    Journal of computational chemistry·2026
    See all related articles

    CHARMM-GUI offers a web-based interface for generating CHARMM simulation input files, standardizing molecular modeling and facilitating advanced techniques. This tool streamlines the process of building and validating molecular systems for research.

    Area of Science:

    • Computational chemistry and molecular dynamics simulations.
    • Development of scientific software and web-based tools.

    Background:

    • CHARMM is a widely used academic program for macromolecular mechanics and dynamics.
    • CHARMM-GUI provides a web-based graphical user interface to simplify CHARMM input file generation.
    • The interactive web environment allows for easy system building and validation.

    Discussion:

    • This article details the functional modules of the CHARMM-GUI Input Generator.
    • It highlights how CHARMM-GUI facilitates common and advanced simulation techniques.
    • The platform enables interactive molecular system construction and validation.

    Key Insights:

    • CHARMM-GUI standardizes the generation of input files for CHARMM simulations.
    • The web interface simplifies complex molecular modeling tasks.

    Related Experiment Videos

  • Interactive validation helps identify and correct errors early in the simulation setup.

    • Outlook:

    • Future development directions for CHARMM-GUI are discussed.
    • Additional features like the Archive and Movie Gallery are mentioned.
    • The project aims to further enhance the usability of CHARMM for molecular simulations.