Computational Techniques in Binding Affinity Prediction of Drugs

Computational Techniques in Binding Affinity Prediction of Drugs

Kshatresh Dutta Dubey (DDU Gorakhpur University, India) and Rajendra Prasad Ojha (DDU Gorakhpur University, India)
DOI: 10.4018/978-1-60960-860-6.ch015

Abstract

Computational techniques are widely used in the chemoinformatics and bioinformatics. Most of the drugs produce their effect by interacting with the target molecules via different interactions. However, these interactions are tough to be calculated without use of robotics techniques. The potentials of these drugs depend upon their binding affinity. Due to huge number of such drugs, the measurement of their relative potency is a hard task. In present chapter the authors have discussed about some most common techniques which are widely used in bioinformatics and chemoinformatics.
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Background

In this section we will discuss about the commonly used techniques for the prediction of binding affinity of drug protein complexes.

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