Explain drug discovery process. Write the importance of drug design.
[6 marks]Write a note on binary molecular fingerprints.
[5 marks]Explain in brief representation of small molecules as “SMILES” and “InChIKey” in ligand databases for CADD.
[5 marks]Write the stepwise procedure of Comparative Modeling.
[6 marks]Write a note on Energy-based approaches used for Binding Site Detection and Characterization.
[5 marks]Explain Monte Carlo Search with Metropolis Criterion.
[5 marks]What is docking? Enumerate various docking methods and explain one in detail.
[6 marks]Discuss the applications of Molecular Dynamics simulations in drug design.
[5 marks]Explain dynamic pharmacophore model with its importance.
[5 marks]Write a note on Structure-Based Virtual High-Throughput Screening.
[6 marks]Discuss linear regression method in QSAR models.
[5 marks]Explain pocket matching in structure based CADD.
[5 marks]Write a note on 2D description of molecular constitution as molecular descriptor in ligand based CADD.
[6 marks]Explain about 3D description of molecular configuration and conformation.
[5 marks]Explain molecular superimposition in pharmacophore mapping. Q. 6 (a) Explain Predication of ADME.
[6 marks]Write a note on human ether-a-go-go related gene potassium channel inhibition.
[5 marks]What is toxicity prediction software package? Write its applicability.
[5 marks]Write a note on genetic algorithms in SBDD.
[6 marks]Write a note on multidimensional QSAR.
[5 marks]Discuss about Knowledge based Scoring method.
[5 marks]