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OpenMM User Profile: Kim Branson, PhD

Kim Branson of Vertex Pharmaceuticals uses OpenMM as the GPU accelerator for Yank, a program for quickly estimating molecular binding affinities that he’s building with collaborators from Pande’s lab.

from http://biomedicalcomputationreview.org/content/simbios-bringing-biomedical-simulation-your-fingertips   Kim Branson, PhD, a research scientist in the modeling and simulation group at Vertex...
Oct, 01, 2009
SimVascular User Profile: Alison Marsden, PhD

University of California, San Diego’s Alison Marsden uses SimVascular to do patient-specific modeling of blood flow for surgical applications.

from http://biomedicalcomputationreview.org/content/simbios-bringing-biomedical-simulation-your-fingertips   Alison Marsden, PhD, an assistant professor of mechanical and aerospace engineering...
Oct, 01, 2009
Putting Heads Together
MICCAI 2007, the 10th International Conference on Medical Image Computing and Computer Assisted Intervention. What: MICCAI typically attracts over 600 world leading scientists, engineers and...
Oct, 01, 2007
Solving the 3-D RNA Structure Puzzle with NAST
For proteins, structure information leads to an understanding of function. The same turns out to be true for ribozymes, ribosomal RNAs, and some other recently discovered RNAs. But mapping out that...
Mar, 01, 2009
Complex Step Derivatives: How Did I Miss This?
One of the tasks faced by every scientific programmer sooner or later is the need to compute the derivative f'(x) from code for the original function f(x). This need arises in design and...
Jul, 01, 2006
A Review of the Review

What this magazine has covered so far.

This, the sixth issue of this magazine (and the final issue of Volume 2), provides a good opportunity for reflection on where we’ve been and where we’re headed.  Three years ago, the...
Jul, 01, 2006
Computing Gene Interactions: Functional and Statistical Approaches Converge

Epistasis explored

When people work together, some individuals may hinder team performance—essentially masking the abilities of other members—while others may boost the group’s performance beyond the...
epistasis
Sep, 01, 2011
Slaying Villains Outside The Ivory Tower

Lessons on leaving academia

Just over a year ago, I left academia. I had been in that realm for 25 years, working in musculoskeletal biomechanics and human movement analysis. It was a move that might have surprised anyone who...
academia, publishing
Jan, 02, 2012
Sparks of Hope for a More Open Approach to Scientific Research and Publishing

Transparent peer review, replication studies, and journals of negative results all suggest change is on the horizon

As I was writing this editorial, I learned about yet another scientific paper being retracted. This time it was a genetics paper in Science, one of the hundreds of retractions that the blog...
errors, peer review, replication, scientific publication
Sep, 01, 2011
Dealing With a Flood of Conformations Using MSMBuilder
In the world of molecular dynamics (MD), researchers often need to analyze and extract meaningful results from millions of conformations. Existing software for accomplishing this task focuses on...
Oct, 01, 2009
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