The first four National Centers for Biomedical Computing take off
WHY NATIONAL CENTERS?
Four National Centers for Biomedical Computing were launched by the NIH in 2004 with $20 million in funding for each center over five years. The reason: We need to make...
Jun, 01, 2005
The Principal Investigators weigh in
Ever since the National Institutes of Health (NIH) began funding the National Centers for Biomedical Computing (NCBCs) just over seven years ago, these powerhouses have been plugging away, building...
Feb, 29, 2012
It’s impossible to predict what the hottest new tools will be, but here are a few gems that caught our attention
Many experimental researchers rely on computational tools to push the pace and productivity of laboratory research. It’s impossible to predict what the hottest new tools will be, but this...
Apr, 01, 2011
Where simulation and theory converge
For decades, scientists have believed that DNA of short lengths (150 base pairs or fewer) behaves as a relatively stiff rod—able to quiver a bit, but rarely forming a circle or tight angle...
Apr, 01, 2007
A debate
Say you are performing biomolecular investigations that are extremely compute intensive. You have a finite amount of money and time. You could get (1) a supercomputer (fast custom CPUs and high-speed...
Oct, 01, 2009
Set objectives and follow through
Having engineered several scientific software applications for public consumption, the authors know from experience that the process offers unique challenges. Typically, the algorithms being...
Oct, 22, 2012
Using molecular dynamics (MD) software, scientists can simulate molecular movement to study biological phenomena that currently cannot be observed experimentally.
But the value of MD...
Jul, 01, 2009
AMOEBA's polarizable force field now integrated with OpenMM
Many have long hoped that molecular dynamics calculations—the computation of how molecules move and interact with other molecules—would revolutionize the world of synthetic chemistry,...
Sep, 01, 2011
OpenMM provides a common interface for doing MD simulations on GPUs
Over the last three years, the lab of Vijay Pande, PhD, at Stanford University has optimized their molecular dynamics (MD) algorithms to take advantage of the fast computing that’s possible...
Jul, 01, 2008
The antiviral drugs Tamiflu and Relenza target a key flu protein—neuraminidase—preventing it from doing its job of releasing virus particles from infected cells into the body. The type of...
Jul, 01, 2009