p8610 moving to FAH

Any announcements about FAH policy, servers and new projects will be made here.

Moderators: Site Moderators, FAHC Science Team

Post Reply
vvoelz
Pande Group Member
Posts: 539
Joined: Sun Dec 02, 2007 8:07 pm
Location: Temple University, Philadelphia PA

p8610 moving to FAH

Post by vvoelz »

The bacterial enzyme MurA plays a vital role in catalyzing the the biosynthesis of peptidoglycan, a cross-linked carbohydrate polymer that surrounds and protects bacterial cell walls. The antibiotic fosfomycin acts by inhibiting MurA, and it is thought that other antibotics may share a similar mechanism of action. MurA, like the other members of the Mur enzyme family, has a two-lobed structure with considerable flexibility to allow substrate into its active site. The goal of this project is to simulate the conformational dynamics of MurA to better understand its function, as well as sample flexible receptor conformations for compuational drug design.

Project: 8610
stats credit: 1299
timeout: 19.8
deadline 43.4
k-factor v=0.75
number of atoms: 74771
Post Reply