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Computer Molecular Dynamics

См. также в других словарях:

  • Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… …   Wikipedia

  • Visual Molecular Dynamics — Infobox Software name = VMD caption = Screenshot of VMD 1.8.3. developer = University of Illinois at Urbana Champaign latest release version = 1.8.6 latest release date = April 7, 2007 operating system = Mac OS X, Unix, Windows genre = Molecular… …   Wikipedia

  • Car-Parrinello Molecular Dynamics — The Carr Parrinello Molecular Dynamics, better known as CPMD, is a package for performing ab initio quantum mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. This code is a parallelized implementation of… …   Wikipedia

  • Molecular graphics — (MG) is the discipline and philosophy of studying molecules and their properties through graphical representation.[1] IUPAC limits the definition to representations on a graphical display device .[2] Ever since Dalton s atoms and Kekulé s benzene …   Wikipedia

  • Molecular design software — is software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs such as the molecular dynamics and quantum chemistry programs, such software directly… …   Wikipedia

  • Dynamics — (from Greek δυναμικός dynamikos powerful , from δύναμις dynamis power ) may refer to: Contents 1 Physics and engineering 2 Sociology and psychology 3 Computer science and mathematics …   Wikipedia

  • Molecular models of DNA — While this purified DNA precipitated in a water jug (left) appears to be a formless mass, nucleic acids actually possess intricate structure at the nanoscale (right). M …   Wikipedia

  • Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li …   Wikipedia

  • Molecular propeller — Pumping of water by the hydrophobic surface molecular propeller Molecular propeller is a molecule that can propel fluids when rotated, due to its special shape that is designed in analogy to macroscopic propellers [1] [2] …   Wikipedia

  • Computer simulation — This article is about computer model within a scientific context. For artistic usage, see 3d modeling. For simulating a computer on a computer, see emulator. A 48 hour computer simulation of Typhoon Mawar using the Weather Research and… …   Wikipedia

  • Molecular self-assembly — An example of a molecular self assembly through hydrogen bonds.[1] Molecular self assembly is the process by which molecules adopt a defined arrangement without guidance or management from an outside source. Th …   Wikipedia

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