Write in brief about various approaches to drug discovery.
[6 marks]Write a note on representation of small molecules as “SMILES”.
[5 marks]Explain in brief about target databases for Computer Aided Drug Discovery.
[5 marks]Explain various methods for binding site detection and characterization and discuss Pocket matching in detail.
[6 marks]Discuss about empirical scoring functions.
[5 marks]Write note on high resolution docking.
[5 marks]Discuss about multitarget inhibitors using common pharmacophore model.
[6 marks]Write a note on binding site characterization.
[5 marks]Discuss about comparative modeling in preparation of target.
[5 marks]Discuss various Toxicity Prediction Software Packages and Algorithms.
[6 marks]Write note on binary molecular fingerprints.
[5 marks]Discuss about pharmacophore algorithms and software packages.
[5 marks]Write a note on importance of various drug design approaches in drug discovery.
[6 marks]Write note on 4D and 5D descriptors.
[5 marks]Write method of selection of optimal descriptors in ligand based CADD. Q. 6 (a) Explain how ligand libraries were prepared for CADD?
[6 marks]Explain structure based virtual high throughput screening.
[5 marks]Discuss about Monte Carlo Search with metropolis criterion.
[5 marks]Enlist methods to identify protein binding sites and explain geometric method.
[6 marks]Explain how ligand libraries were prepared for CADD?
[5 marks]Explain genetic algorithms in SBDD
[5 marks]