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BS3008: Computer Aided Drug Discovery
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Preface
PART 1 : LECTURES
1
Theoretical Foundations of BS3008
2
Fundamental Quantum Chemistry
3
Molecular Mechanics in Molecular Modelling
4
Force Fields
5
Realization of Force Field and Energy Minimalization
6
Molecular Dynamic Simulations
7
Monte Carlo Simulations and Basic Statistical Mechanics
8
Docking and Drug Discovery
9
Nonbonded Computations and Data Analysis
PART 2 : PRACTICAL SESSIONS
10
PDB Files and PyMOL Visualizations
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Linux Command Line
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PDB Files and PyMOL Visualizations
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Linux Command Line