Desmond Workshop at PSC

Tuesday October 27, 2009

This workshop is full. You may register to be placed on a waiting list. You will be contacted if a spot becomes available.

This one-day workshop (9 am to 4 pm) will introduce researchers to the newly released version (v.2.2) of Desmond software from DE Shaw Research, used for molecular dynamics simulations of biological molecules. Attendees will learn the basic concepts underlying Desmond, and how to run simulations and analyze results. The workshop will be co-hosted by the National Resource for Biomedical Supercomputing (NRBSC) and the Pittsburgh Supercomputing Center (PSC), with instructors from DE Shaw Research, the NRBSC, and the PSC. Topics will include preparing structure files, setting system constraints, specifying force fields, and post-simulation analysis. A hands-on lab session will provide an opportunity to work with Desmond on local workstations and large scale PSC systems.

The workshop is geared toward life science researchers but will also be of interest to anyone investigating molecular motions and interactions using computer simulation techniques. A broad familiarity with the concepts of molecular dynamics simulations and a working knowledge of Unix is recommended.

Attendees are responsible for their own travel arrangements.

This workshop is full. You may register to be placed on a waiting list. You will be contacted if a spot becomes available.

Hotel Information

A block of rooms has been reserved at the Holiday Inn Pittsburgh - University Center at the rate of $114 per night. Please mention "PSC Desmond Workshop" when making reservations.

Holiday Inn Pittsburgh - University Center 100 Lytton Avenue Pittsburgh, PA 15213 Phone: 412-682-6200