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National University of Singapore, Science Faculty, Computational Sci Dept
 
   
   


Lecture Notes of Introduction to Computational Science

List of Contents:

  1. Overview of Computational Science.

  2. MatLab: The Language of Technical Computing.
    2.1 What is MatLab?
    2.2 Basic Operations.
    2.3 Graphics.
    2.4 Help and Online Documentation.

  3. Computational Mathematics.
    3.1 Mathematical Modeling.
    3.2 Analyzing Scientific data.
    3.3 Chaos and Dynamical Systems.
    3.4 Fractals.

  4. Computational Physics.
    4.1 Newton's Laws and Planetary Motion.
    4.2 Molecular Dynamics Simulation.
    4.3 Potential, Field, Waves, and Fluid Flows.

  5. Computational Chemistry.
    5.1 Chemical Compounds.
    5.2 Stereochemistry.
    5.3 Molecular Mechanics in Chemistry.

  6. Computational Biology.
    6.1 The Molecules of Cells.
    6.2 Databases in Molecular Biology.
    6.3 Sequence Alignment and Internet Tools.
    6.4 Homology Based Protein Modeling .
    6.5 Computer Aided Drug Design.
   
           
 
Computer-aided Drug Design
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