Molecular Dynamics Workshop: Theory, Uses, and Innovations, New York

March 7, 2019

Join us at Schrödinger's NYC office from 1:30 PM - 4:30 PM to learn how using advanced computational techniques and physics-based calculations in drug design can reduce cost and speed up research progress. In this workshop, you will learn the basic theory behind molecular dynamics (MD) simulations and learn how MD can best be applied to research projects.

Workflows for various kinds of MD simulations and basic analysis, including protein-ligand and membrane-bound proteins, will be presented. The computational requirements for running these calculations will also be discussed. By the end of the session, you will have learned the general principles that will allow you to make the most of MD with your research.

A working knowledge of Maestro is helpful, but not required, for participation in this course. We hope to see you there!