Move p8690-p8699 and p13700-p13701 to FAH

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

Move p8690-p8699 and p13700-p13701 to FAH

Post by yunhui »

Releasing new SMP A4 (GRO_A4) projects p8690-p8699 and p13700-p13701 to FAH.
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"/>
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