[CPU] Projects 18465-18466 to FAH

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vvoelz
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Posts: 534
Joined: Sun Dec 02, 2007 8:07 pm
Location: Temple University, Philadelphia PA

[CPU] Projects 18465-18466 to FAH

Post by vvoelz »

Projects 18465 and 18466 are expanded-ensemble (EE) simulations we are performing to predict water/toluene partition coefficients of small-molecule drugs as part of the recent SAMPL9 logP challenge. See: https://stats.foldingathome.org/project/18465

<project type="GRO_A8" id="18465">
<runs v="46"/>
<clones v="10"/>
<atoms v="21086"/>
<stats_credit v="20660"/>
<timeout v="2.0"/>
<deadline v="3.5"/>
<description v="SAMPL9 logP water"/>
<contact v="voelz@temple.edu"/>

<project type="GRO_A8" id="18466">
<runs v="46"/>
<clones v="100"/>
<atoms v="14398"/>
<stats_credit v="21270"/>
<timeout v="2.0"/>
<deadline v="3.5"/>
<description v="SAMPL9 logP toluene"/>
<contact v="voelz@temple.edu"/>
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