“Interactive Molecular Modeling Using Real-Time Molecular Dynamics Simulations and Virtual Reality Computer Graphics” by Bash

  • ©Paul A. Bash

Conference:


Title:


    Interactive Molecular Modeling Using Real-Time Molecular Dynamics Simulations and Virtual Reality Computer Graphics

Program Title:


    VROOM

Presenter(s):



Description:


    Using real-time interactive molecular modeling and molecular dynamics simulations, this project demonstrates the docking of drug molecule to its molecular receptor. A molecular modeler guides a drug molecule into the active site of a protein, receiving real-time feedback from a molecular dynamics simulation running on an IBM SP parallel computer. The molecular system is displayed and manipulated in the CAVE virtual-reality environment.


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