NIH-sponsored workshops on Theoretical and Computational Biophysics 2015 University of Illinois at Urbana-Champaign

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.

Computational Biophysics Workshops

September 21-25, 2015

University of California San Diego
San Diego, CA



Rommie Amaro
Emad Tajkhorshid
Chris Chipot



General Questions:

Registration fee: $500 fee for students; $500 non-student academics; $500 all others; fee is non-refundable. Enrollment limited to 24 participants. Course materials will be provided. Participants must cover the cost of housing. The workshops can neither fund nor arrange participant travel.

Significant Dates Date (in 2015):
Application deadline for full consideration: August 20
Selection and notification of participants by: Ongoing through September 1
Confirmation of attendance by participants due by: Two days after acceptance notice
Payment of workshop fee due by: Five business days after confirming attendance

The workshop will be held at the University of California San Diego, and is sponsored by:
National Institute of General Medical Sciences
NIH Center for Macromolecular Modeling and Bioinformatics (NIH 9P41GM104601)
Workshop advertised in part via the Computational Chemistry List (
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