“Interactive Molecular Modeling Using Real-Time Molecular Dynamics Simulations and Virtual Reality Computer Graphics” by Bash
Conference:
Type(s):
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.