Simulation Based Drug Discovery Workshop

RSV lattice

This workshop will explore physical models and computational approaches used for the drug discovery through simulation of biological systems at an atomic level. Topics covered include: using Autodock, using VMD and NAMD to model membrane proteins, free energy calculations, developing target dependent libraries and screening strategies, automated workflows for reproducible MD and small molecule discovery. Lectures in the morning will by followed by hands-on tutorials.

The workshop is designed for researchers and students in computational and/or biophysical fields who seek to extend their research skills to include computational and theoretical expertise in drug discovery through simulation, as well as other researchers interested in computational drug discovery. Those interested in attending must apply and be accepted into the workshop. Enrollment is limited to 24 participants. All participants are required to bring their own laptop for use in workshop tutorial sessions. Participants must arrange and pay for their own travel and housing. Registration fees and important dates are described below.