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Molecular Modeling: An Overview

Sona Chahal


Molecular modeling has now become today’s one of the hottest themes for drug discovery and design tools. It has become an integral part of determining, explaining, and predicting the properties of small organic compounds for potential drug candidates. It has become a valuable and essential tool to medicinal chemists for the drug designing process. Molecular modeling involves a range of computerized techniques based on theoretical chemistry methods and experimental data to predict and determine the molecular and biological properties.

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