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CHARMM

eagle-i ID

http://xula.eagle-i.net/i/00000136-1747-adaf-a9f8-d64580000000

Resource Type

  1. Software

Properties

  1. Resource Description
    "CHARMM (Chemistry at HARvard Macromolecular Mechanics): • is a versatile and widely used molecular simulation program with broad application to many-particle systems • has been developed with a primary focus on the study of molecules of biological interest, including peptides, proteins, prosthetic groups, small molecule ligands, nucleic acids, lipids, and carbohydrates, as they occur in solution, crystals, and membrane environments • provides a large suite of computational tools that encompass numerous conformational and path sampling methods, free energy estimates, molecular minimization, dynamics, and analysis techniques, and model-building capabilities • is useful for a much broader class of many-particle systems • can be utilized with various energy functions and models, from mixed quantum mechanical-molecular mechanical force fields, to all-atom classical potentials with explicit solvent and various boundary conditions, to implicit solvent and membrane models • has been ported to numerous platforms in both serial and parallel architectures"
  2. Additional Name
    CHARMM (Chemistry at HARvard Macromolecular Mechanics)
  3. Contact
    Mottamal, Madhu, Ph.D.
  4. Used by
    RCMI Molecular Structure and Modeling Core
  5. Software purpose
    Molecular modeling objective
  6. Website(s)
    http://www.charmm.org/
  7. Related Technique
    Computational modeling technique
  8. Software license
    Proprietary commercial software license
 
RDFRDF
 
Provenance Metadata About This Resource Record
  1. workflow state
    Published
  2. contributor
    sgarner
  3. contributor
    nvasilevsky
  4. created
    2012-03-15T11:59:58.784-05:00
  5. creator
    molecular-modeling
  6. modified
    2012-10-29T21:38:41.432-05:00

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The eagle-i Consortium is supported by NIH Grant #5U24RR029825-02 / Copyright 2016