P9102 moving to adv

[msultan]

Hello all,
I am releasing 9102 to adv. It should be pretty stable since it was designed to adaptively sample the under sampled regions from the results of p9101. The points are the same as before.
Project Info:
The fyn kinase is an enzyme present in multiple signaling pathways whose aberrant behavior leads to cancerous cell growth, and has also been implicated in the invasion of the dengue virus. This project continues the Pande Lab's effort to map out the conformational landscape of the src kinase family. Recent work from our lab on a similar kinase found a potentially druggable intermediate state(Shukla et al, Nature2014). The main aim of the present simulation is to get a better understanding of Fyn's dynamics in order to design better therapeutics.

More Science:
The link between fyn and dengue: http://www.ncbi.nlm.nih.gov/pubmed/23616652
Recent Src Results: http://www.nature.com/ncomms/2014/14030 ... s4397.html

Some Project Stats:
client-type beta
timeout 8.0
deadline 10.0
k-factor 0.75
gens 2000
min-core-version 46
natoms ~33000
stats-credit 4000

Cheers,
Muneeb