Molecular Modeling define as theoretical methods and computational techniques use to mimic the behaviour of molecules and molecular systems. Modeling helps the scientist to visualize molecules to discover new compounds on drugs. In molecular modelling include verification and validation. Verification used to compare the accuracy of the model. Validation process used to compare the experimental measurements for the simulated results and Experimental frames. Molecular Modeling in drug design is performed by the molecular mechanics and quantum mechanics . Molecular mechanics is used for calculation of energy of atoms , force on atoms and their resulting motion. Quantum mechanics provide information about nuclear position and distribution.
- Track 1-1 Experimental Frames
- Track 2-2 Energy Minimisation
- Track 3-3 Verification
- Track 4-4 Validation