Releasing projects p8690-p8699 and p13700-p13701 for ADV

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

Moderators: Site Moderators, FAHC Science Team

Post Reply
yunhui
Scientist
Posts: 147
Joined: Mon May 16, 2016 3:24 pm

Releasing projects p8690-p8699 and p13700-p13701 for ADV

Post by yunhui »

Releasing new SMP A4 (GRO_A4) projects p8690-p8699 and p13700-p13701 to ADV.
These are simulations of four different ligands designed as MDM2 inhibitors. This work aims to provide us binding mode of these ligands for MDM2 which is an important system in cancer therapeutics.
A full description of these projects is here: http://fah-web.stanford.edu/cgi-bin/fah ... ed?p=13700
CPU restrictions: 1 <= CPUs<=27, CPUs!=7 (subject to change).
All have k-factor v=0.75

Project: 8690
<stats_credit v="227"/>
<timeout v="3.5"/>
<deadline v="7.6"/>
<atoms v="6581"/>

Project: 8691
<stats_credit v="1211"/>
<timeout v="18.5"/>
<deadline v="40.5"/>
<atoms v="37045"/>

Project: 8692
<stats_credit v="1200"/>
<timeout v="18.4"/>
<deadline v="40.1"/>
<atoms v="36709"/>

Project: 8693
<stats_credit v="178"/>
<timeout v="2.7"/>
<deadline v="6.0"/>
<atoms v="5080"/>

Project: 8694
<stats_credit v="1210"/>
<timeout v="18.5"/>
<deadline v="40.5"/>
<atoms v="37033"/>

Project: 8695
<stats_credit v="1204"/>
<timeout v="18.4"/>
<deadline v="40.3"/>
<atoms v="36828"/>

Project: 8696
<stats_credit v="178"/>
<timeout v="2.7"/>
<deadline v="6.0"/>
<atoms v="5077"/>

Project: 8697
<stats_credit v="1213"/>
<timeout v="18.6"/>
<deadline v="40.6"/>
<atoms v="37111"/>

Project: 8698
<stats_credit v="1203"/>
<timeout v="18.4"/>
<deadline v="40.2"/>
<atoms v="36819"/>

Project: 8699
<stats_credit v="179"/>
<timeout v="2.7"/>
<deadline v="6.0"/>
<atoms v="5110"/>

Project: 13700
<stats_credit v="1210"/>
<timeout v="18.5"/>
<deadline v="40.5"/>
<atoms v="37041"/>

Project: 13701
<stats_credit v="1209"/>
<timeout v="18.5"/>
<deadline v="40.4"/>
<atoms v="36990"/>
Post Reply