Category: Science

What causes proteins to fold?  This is a complex question, but there are some rules of thumb that have been learned especially for how proteins behave in vitro (eg in…

Thermodynamics (and it’s "older brother" statistical mechanics — but I’ll refer to both as Thermodynamics) plays a very important role in what we do.  I thought I’d talk a little…

Our lab is part of an NIH roadmap center for Nanomedicine.  The basic idea of the nanomedicine roadmap centers is to use nanotechnology and other advances in chemistry, structural biology,…

Molecular dynamics (MD) is a major part of FAH.  Most (but not all) of the FAH cores are MD engines.  The basic idea behind MD is to simulate reality by…

Developing and applying new methods for computational drug design has become a major thrust for FAH as our methods have matured and developed.  It’s become useful to test just how…

We’ve all been very excited about the great turnout of FAH donors over the last few days, allowing FAH to go over a petaflop.  The PS3’s have been cranking out…

It’s still early, but the newest PS3 version (1.3) is looking very nice scientifically.  While the key science upgrades in 1.3 are very much behind the scenes, they are going…

I’ll be giving a lecture at Yale this Monday (9/17) in the Molecular Biology and Biophysics Department.  If there are folders in Yale curious about what we’ve been doing recently,…