What do you mean by force field? Describe various methods for energy minimization.
[6 marks]What is compound library filters? Explain it.
[5 marks]Discuss potentials of in silico toxicology.
[5 marks]Write a note on Pharmacophore mapping
[6 marks]Discuss about Consensus – scoring function.
[5 marks]Explain in detail molecular dynamics – based detection in SBDD.
[5 marks]Describe multi target inhibitors using common pharmacophore models.
[6 marks]Write a note on high resolution docking.
[5 marks]Discuss about Monte Carlo Search with metropolis criterion.
[5 marks]Write a note on drug discovery process. Give importance of drug design.
[6 marks]Write in detail about COMFA and COMSIA Methods of QSAR.
[5 marks]Write a note on ligand databases for CADD.
[5 marks]Enlist methods to identify protein binding sites and explain any one in detail.
[6 marks]Write a short note on multidimensional QSAR in drug discovery.
[5 marks]Explain in brief linear regression method in QSAR models. Q. 6 (a) Explain in detail 3D description of molecular configuration and conformation in ligand based CADD.
[6 marks]Write a note on InChIKey- the IUPAC International Chemical Identifier.
[5 marks]Explain role of octanol / water partition coefficient and polarizability as a molecular descriptors in ligand based CADD
[5 marks]What is pharmacophore? Explain in brief molecular superimposition in pharmacophore mapping.
[6 marks]Write a note on Receptor – dependent 3D/4D QSAR.
[5 marks]Discuss about Knowledge based scoring function.
[5 marks]