ADT
aMD
APBS
AutoClickChem
AutoGrow
BrownDye
CADD
Continuity
CSMOL
ePMV
FETK
GAMer
iAPBS
MEME
MGLTools
NNScore
Opal
PDB2PQR
PMV
POVME
SMOL
TxBR
Video highlighting the Computer Aided Drug Discovery Pipeline is now available on YouTube and is viewable from the CADD page. CADD Pipeline is a workflow environment designed to support molecular dyanmics simulations and virtual screening experiments for in silico drug discovery, with a special focus on supporting the use of the Relaxed Complex Scheme.
CADD Video
Video highlighting the Computer Aided Drug Discovery Pipeline is now available on YouTube and is viewable from the CADD page. CADD Pipeline is a workflow environment designed to support molecular dyanmics simulations and virtual screening experiments for in silico drug discovery, with a special focus on supporting the use of the Relaxed Complex Scheme.
Advanced GPU-accelerated software
Researchers enable unprecedented sampling using desktop computers with OTS upgrade: Using just an upgraded desktop computer equipped with a relatively inexpensive graphics processing card, a team of computer scientists and biochemists at the University of California, San Diego, has developed advanced GPU accelerated software and demonstrated for the first time that this approach can sample biological events that occur on the millisecond timescale. See full article
2012 Cardiac Physiome Workshop
30 October – 2 November 2012 San Diego California, USA
The 2012 Cardiac Physiome Workshop will be held at the Catamaran Resort Hotel in San Diego, California from October 30th to November 2nd, 2012, right before the Scientific Sessions of the American Heart Association in Los Angeles. The meeting is being sponsored in part by the National Biomedical Computation Resource, and registration and program information will be posted shortly on this Cardiac Physiome web site. For further information contact Teri Simas.
Attacking Chagas Disease
Projects in Scientific Computing publishes an article describing Studies with Anton, a special-purpose supercomputer designed by D. E. Shaw Research and made available at PSC, that have yielded new insights into the motion and function of proteins. One of the studies, Attacking Chagas Disease, was lead by Andrew McCammon and post-doctoral fellows César de Oliveira, Barry Grant and Riccardo Baron. They used Anton to simulate an enzyme from the Chagas parasite — T. cruzi proline racemase (TcPR). Read articles in Protein Research Leaps Forward.
NBCR Summer Institute 2012
The 7th
National Biomedical Computation Resource Summer Institute will take place 30 July - 3 August, 2012.
Biophysical Society 56th Annual Meeting
The 2012 Biophysical Society 56th Annual Meeting is held in San Diego, Feb 25-29, 2012. See http://www.biophysics.org/2012meeting
