Aaranya Bioscience

Module 2
The Protein Data Bank (PDB) Relationship between sequence and 3D structure of a protein Alignment of protein sequences Needleman-Wunsch alignment method Multiple sequence alignments (MSA) Homology modeling of proteins Construction of the core Refinement of the homology model Model verification Comparison of various strategies in homology modeling Drug designing Molecular recognition Structure-based Ligand design Molecular docking Virtual screening Structure-based Pharmacophore generation Pharmacophore representation De Novo design of ligands Peptides and peptide analogs as drugs: Peptidomimetics Basic concepts of QSAR 2D-QSAR in drug design Principal component analysis (PCA) Multiple linear regressions (MLR) Principle component regression (PCR) Partial least squares method (PLS) COMFA and COMSIA ADMET calculation

Module 2

PROFESSIONAL TRAINING MODULE
MOLECULAR MODELING
PROTEIN MODELING
Chemo-informatics
Pharmacoinformatics
Genomics
Structure based drug designing
Alternative toxicity assays and Predictions