Question

Select the technique used to predict ligand binding orientation?

• A. Molecular docking
• B. Energy minimisation
• C. Molecular dynamics
• D. Homology modelling

Hint:

Computational techniques: \[ \boxed{ \begin{aligned} \text{Homology modelling} &\rightarrow \text{Predict protein structure} \text{Molecular docking} &\rightarrow \text{Predict ligand binding} \text{Molecular dynamics} &\rightarrow \text{Study molecular motion} \end{aligned} } \]

Answer 1

The Correct Option is A

Step 1: Recall molecular docking. Molecular docking is a computational technique that predicts how a ligand binds to the active site of a target protein.

Step 2: Identify the correct technique. Docking estimates the preferred binding orientation and binding affinity of a ligand with its receptor. Hence, \[ \boxed{\text{Molecular docking}} \] is the correct answer. Therefore, \[ \boxed{(A)} \] is the correct answer.