School of Computational and Integrative Sciences
(School of Information Technology)
BIOMOLECULAR SIMULATIONS AND ITS APPLICATIONS IN BIOLOGY
August 1-6, 2010
About the Workshop
The workshop is designed to teach the participants the basic concept of molecular dynamics and its application to biological
macromolecules such as nucleic acids, carbohydrates, membrane, proteins, through a series of lectures on each variety of
macromolecules. The lectures will be followed by hands-on practicals prepared by the experts. Participants will spend 50% of the
time in acquiring the hands-on experience using tools such as GROMACS, NAMD and VMD.
Objective of the Workshop
- Understanding basic concept of molecular dynamics and its application to Biology.
- Hands on training on different class of biological macromolecules.
- Basics of Molecular Dynamics
- Protein Dynamics, Folding and its Applications
- Membrane Dynamics and its Applications
- Carbohydrate Dynamics and its Applications
- Nucleic Acid Dynamics and its Applications
In addition, topics such as Replica Exchange Molecular Dynamics, Analysis of Molecular Dynamics Trajectory, Free Energy, Entropy
Calculation etc. will be covered.
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