JC just presented the talk “Bridging the gap between X-ray crystallography and biological insight with MD simulations” at the “Hot Spring Harbor International Symposium” in Fukuoka Japan. He also visited MD master Yuji Sugita, for whom a 100-million-atom simulation is trivial, at the RIKEN Institute in Tokyo.
Sally Rockey, about to leave NIH, explains indirects in this video: https://youtu.be/1XvVibv2opQ
Use your own judgement for whether her claims about incentives are correct or not.
This is a question we’ve been thinking about a lot. Here is a short article that frames the problem well.
JC just got back from the land down under, where he was teaching free energy methods at a workshop in Melbourne. The local students were many, including even a wallaby! The workshop was hosted by the Victorian Life Sciences Computation Initiative (VLSCI).
Undergraduate physics major and group member Alex Covington wrote an article on our recent outreach efforts using VMD Lite at Pope High School in Marietta, GA. You can find it here.