p8610 released to ADV

[vvoelz]

Releasing project p8610 to ADV

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