Computational methods can be applied at the early stages of the drug design process. It is...

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Biology

Computational methods can be applied at the early stages of thedrug design process. It is use current technology to providevaluable insights into the understanding of chemical system in avirtual manner. By integrating the TWO (2) computational methods;molecular docking and molecular dynamics simulation, explain howthese TWO (2) methods can be integrated in computational drugdesign.
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Computational methods applied at the early stages of the drug design process use current technology to provide valuable insights into the understanding of chemical systems in a virtual manner complementing experimental analysis Molecular docking is an in silico method employed to foresee binding modes of small compounds or macromolecules in contact with a receptor and to predict their molecular interactions Moreover the methodology opens up the possibility of ranking these compounds according to a hierarchy determined using particular scoring functions Docking protocols assign many approximations and most of them lack receptor flexibility Therefore the reliability of the resulting proteinligand complexes is See Answer

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