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CHARMM

eagle-i ID

http://howard.eagle-i.net/i/0000013a-88fe-856f-5d34-ad3f80000000

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
    Chemistry at HARvard Macromolecular Mechanics
  3. Contact
    Southerland, William, Ph.D.
  4. Used by
    CCBB
  5. Version
    C30b1
  6. Version
    C31a1
  7. Version
    C32b2
  8. Website(s)
    http://www.charmm.org/
  9. Related Technique
    Computational modeling technique
 
RDFRDF
 
Provenance Metadata About This Resource Record
  1. workflow state
    Published
  2. contributor
    kcespedes
  3. created
    2012-10-22T10:07:05.629-05:00
  4. creator
    kcespedes
  5. modified
    2012-10-24T15:05:12.768-05:00

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