Modular and Flexible Tangible Molecular Interface for Interactive Molecular Simulation Based on Internet of Things Approach

Abstract

Rational Drug Design, is an approach based on detailed knowledge of molecular interactions and dynamic of bio-molecules, focused on rationally constructed new drugs, as opposed to conventional and empirical approaches. These Rational Drug Design approaches involve designing new digital and interactive tools that take into account unconventional physical laws at nanoscopic scale using molecular simulations. However, many advanced interactive devices, such as haptic devices for manipulating and steering molecular models in silico especially to support protein docking activities, are not well-adapted to consider the numerous degrees of freedom and flexibility of bio-molecules. In this paper, we propose to address this issue by implementing an innovative approach benefiting from a physical, modular and articulated molecular model augmented by an Internet Of Thing approach, to create, design and steer its in silico twin model through a tangible molecular interface.