Molecular Modelling

Abstract

<div>The use of computational chemistry in the development of novel pharmaceuticals is becoming an increasingly important</div><div>tool. In the past, drugs were simply screened for effectiveness. The recent advances in computing power and</div><div>the exponential growth of the knowledge of protein structures have made it possible for organic compounds to tailored to</div><div>decrease harmful side effects and increase the potency. This article provides a detailed description of the techniques</div><div>employed in molecular modeling. Molecular modelling is a rapidly developing discipline, and has been supported from</div><div>the dramatic improvements in computer hardware and software in recent years.</div>

Keywords

• Molecular modeling, computational chemistry, software’s, Molecular mechanics