Molecular Biomedicine in the Era of Teraflop Computing

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Table of Contents

Molecular Biomedicine in the Era of Teraflop Computing

Steered Molecular Dynamics

Atomic Force Microscopy in vivo, in vitro, in silico

Titin Ig Domain Extension

Interactive Modeling Binding path of retinal to bacterio-opsin (1)

Interatctive Modeling Binding path of retinal to bacterio-opsin (2)

Quantitative Analysis of SMD

Reconstruction Methods Investigated

Reconstructing Potentials from Time Series Data

Least Squares Method

Reconstructing Potentials Using Full Onsager-Machlup Action and Multiple Trajectories

Interactive Molecular Dynamics

NAMD: Scalable Molecular Dynamics

Interactive Modeling Structure based drug design

VMD: Visual Molecular Dynamics 

How the connection works

A Haptic Device for IMD

Interactive Docking of Lactose lac Repressor

Application to Gramicidin A System

Interactive Molecular Dynamics (IMD)

Planned Work

A visual computing environment for very large scale biomolecular modeling

Gesture Recognition Setup

Multimodal CESB

Gesture Recognition in CESB Role of hand model gesture analysis

Speech recognition setup

Acknowledgements

Author: Klaus Schulten 

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