Live briefing
Everything about CHARMM
Molecular dynamics software
Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular dynamics simulation and analysis computer software package associated with them. The CHARMM Development Project involves a worldwide network of developers working with Martin Karplus and his group at Harvard to develop and maintain the CHARMM program. Licenses for this software are available, for a fee, to people and groups working in academia. Wikipedia →
🧭 Start here: a 6-step reading path
- Read the overview: CHARMMA 5-minute orientation
- Skim a recent paper: CHARMM-GUI Membrane Builder : Past, Current, and Future Developments and ApplicationsInfluential work since 2022
- Read the landmark paper: CHARMM : A program for macromolecular energy, minimization, and dynamics calculationsCited 13,800 times
- Go sideways: Ascalaph DesignerA closely related topic
- Go sideways: MacroModelA closely related topic
📖 Definitions
No dictionary entry for this exact phrase.
🗂️ The subject at a glance
🏆 Landmark papers (most cited)
CHARMM : A program for macromolecular energy, minimization, and dynamics calculations
CHARMM‐GUI: A web‐based graphical user interface for CHARMM
CHARMM: The biomolecular simulation program
CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ 1 and χ 2 Dihedral Angles
Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
CHARMM-GUI Membrane Builder toward realistic biological membrane simulations
🆕 Influential since 2022
CHARMM-GUI Membrane Builder : Past, Current, and Future Developments and Applications
CHARMM-GUI PDB Manipulator: Various PDB Structural Modifications for Biomolecular Modeling and Simulation
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
CHARMM-GUI Multicomponent Assembler for modeling and simulation of complex multicomponent systems
CHARMM‐GUIhigh‐throughput simulator for efficient evaluation of protein–ligand interactions with different force fields
📚 Books worth reading
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