Tags: molecular dynamics (MD)

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Description

Molecular dynamics is a form of computer simulation in which atoms and molecules are allowed to interact for a period of time by approximations of known physics, giving a view of the motion of the particles. This kind of simulation is frequently used in the study of proteins and biomolecules, as well as in materials science. More information on Molecular dynamics can be found here.

Resources (181-187 of 187)

  1. REBO

    Tools | 24 Jul 2006 | Contributor(s):: Wen-Dung Hsu, SeongJun Heo, jing xu, Susan Sinnott

    Reactive Empirical Bond-Order (REBO) potential is a many-body expression optimized for modeling covalently bonded materials, such as carbon and silicon, in large-scale atomistic simulations

  2. Micelle

    Tools | 24 Jul 2006 | Contributor(s):: Kunal Shah, Patrick Chiu, jing xu, Susan Sinnott

    Parallel Molecular Dynamics (MD) code that models surfactant structures in water and at liquid/solid interfaces.

  3. Molecular Workbench: An Interface to the Molecular World

    5.0 out of 5 stars 

    Downloads | 25 Jun 2006 | Contributor(s):: Charles Xie

    The Molecular Workbench software is a free, open-source modeling and authoring program specifically designed for use in science education. Powered by a set of real-time molecular simulation engines that compute and visualize the motion of particles interacting through force fields, in both 2D and...

  4. nano-Materials Simulation Toolkit

    5.0 out of 5 stars 

    Tools | 08 Aug 2006 | Contributor(s):: Alejandro Strachan, Amritanshu Palaria, Ya Zhou, Janam Jhaveri

    Molecular Dynamics simulations of nano-materials

  5. Nanofluidics

    0.0 out of 5 stars 

    Online Presentations | 15 Jun 2004 | Contributor(s):: Susan Sinnott

    Nanofluidics

  6. REBO Nanofluidics Exercise

    0.0 out of 5 stars 

    Teaching Materials | 10 May 2006 | Contributor(s):: Susan Sinnott, Hetal Patel

    Nanofluidics exercise showing the variation of energy and position of methane and butane molecules flowing through an opened carbon nanotube as the system temperature and the length of the nanotube are varied.

  7. Structure and Ion Permeation of the Gramicidin Channel using Molecular Dynamics

    0.0 out of 5 stars 

    Online Presentations | 12 Apr 2004 | Contributor(s):: Toby Allen

    Molecular dynamics (MD) has become an essential tool for obtaining microscopic insight into biological function. The gramicidin channel as an excellent benchmark system for this purpose. Using extensive MD simulations with explicit solvent and membrane, we determine the backbone structure and...