Difference between revisions of "2012 AMBER Tutorial with Biotin and Streptavidin"
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In this tutorial, we will learn how to run a molecular dynamics simulation of a protein-ligand complex. We will then post-process that simulation by calculating structural fluctuations (with RMSD) and free energies of binding (MM-GBSA). | In this tutorial, we will learn how to run a molecular dynamics simulation of a protein-ligand complex. We will then post-process that simulation by calculating structural fluctuations (with RMSD) and free energies of binding (MM-GBSA). | ||
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| + | ==Introduction== | ||
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| + | ===AMBER=== | ||
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| + | ===Biotin and Streptavidin=== | ||
| + | For information of the Biotin and Streptavidin system, see [[2012 DOCK tutorial with Streptavidin]] | ||
Revision as of 09:37, 28 February 2012
For additional Rizzo Lab tutorials see AMBER Tutorials.
In this tutorial, we will learn how to run a molecular dynamics simulation of a protein-ligand complex. We will then post-process that simulation by calculating structural fluctuations (with RMSD) and free energies of binding (MM-GBSA).
Introduction
AMBER
Biotin and Streptavidin
For information of the Biotin and Streptavidin system, see 2012 DOCK tutorial with Streptavidin
