Difference between revisions of "2016 AMBER tutorial with Thrombin"
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==II. Structural Preparation== | ==II. Structural Preparation== | ||
Revision as of 13:14, 6 April 2016
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).
Contents
I. Introduction
Yaping
