Enlist protein binding sites identification methods and explain any one in detail.
[6 marks]Explain in details representation of small molecules as “SMILES” in ligand databases for CADD.
[5 marks]Write a short note on comparative modeling in structure based CADD.
[5 marks]Explain multi target inhibitors using pharmacophore model.
[6 marks]Describe in detail applications of Molecular Dynamics simulations in drug design.
[5 marks]Explain in detail pocket matching in structure based CADD.
[5 marks]Explain about genetic algorithms in SBDD.
[6 marks]What do you mean by force field? Describe various methods for energy minimization.
[5 marks]Discuss importance of drug design approaches in drug discovery.
[5 marks]Discuss about Monte Carlo simulation with metropolis criterion.
[6 marks]Define ligand based CADD. Discuss preparation of ligand libraries.
[5 marks]Explain InChIkey.
[5 marks]Explain in detail 3D description of molecular constitution as molecular descriptor in ligand based CADD.
[6 marks]What is pharmacophore? Explain in brief about pharmacophore mapping.
[5 marks]Write about Binary molecular fingerprints. Q. 6 (a) Discuss about COMFA and COMSIA methods of QSAR.
[6 marks]What is toxicity prediction software package? Explain it.
[5 marks]Explain in brief human ether-a-go-go related gene potassium channel inhibition.
[5 marks]Write down SAR application in ligand based CADD.
[6 marks]Discuss about Knowledge based Scoring method.
[5 marks]Write down prediction of ADME in detail.
[5 marks]