Mosaic – Molecular Structure Generator in Cloud

 
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Introduction

MOSAIC is a cloud based conformational search tool, in which semi-empirical method will be used to explore the potential energy surface of biomolecule of interest in parallel mode. The tool also will be useful to screen millions of small drug like molecules databases to understand their energetics, electrostatic using semi-empirical method. This torsion angle driven conformational search method will be useful in a range of chemical design applications, including drug discovery and design of targeted chemical hosts. The tool is useful for finding the target drug ligands by calculating the energy of all the conformers. We have developed the cloud based tool which provides Software as a Service (SaaS) for trajectories from all simulation package. Multiple instances are created for energy calculations of small molecules.

MOSAIC on Cloud

MOSAIC Method

MOSAIC

MOSAIC interface

MOSAIC1

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