Folding Forum

We are now releasing [CPU, A8] p12463 to full FAH. These are regular MD simulations of a small *peptoid* (i.e. N-substituted oligoglycine) that we are performing to test force field accuracy and enhanced sampling of cis/trans isomerization transitions in the backbone amides. One wrinkle: because thi...

Releasing [CPU, A8] p12462 to FAH. These are expanded-ensemble simulations of a small *peptoid* (i.e. N-substituted oligoglycine) that we are performing to test force field accuracy and enhanced sampling of cis/trans isomerization transitions in the backbone amides. One wrinkle: because this is a no...

Releasing [CPU, A8] p12460 and p12461 to FAH Description These are expanded-ensemble simulations of linear tetrapeptides in organic solvents, designed to study how peptide stereochemistry influences cyclization efficiency in synthesis. See: * https://stats.foldingathome.org/project/12460 * https://s...

Releasing GPU project p18488 to full FAH. These are OpenMM simulations of small-molecule fragments binding to the SARS CoV-2 main protease. More info at the project description: https://stats.foldingathome.org/project/18488 <project type="OPENMM_22" id="18488"> <atoms v="131...

Releasing CPU project 18457 to FAH (finally! These were stuck on BETA for a while :) These are simulations of stapled peptide GABARAP inhibitors in solution -- more info at: https://stats.foldingathome.org/project/18457 <project type="GRO_A8" id="18457"> <min-core-version v="...

The Voelz lab is releasing a new GPU project, aimed at understanding the conformational dynamics of dimers of an enzyme called PTPσ. It's almost a half-million atoms so be aware of the large download. Happy folding! See also: https://stats.foldingathome.org/project/12424 Project 12424 <atoms v=“4384...

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&qu...

We are releasing new CPU (GRO_A8) project 18436 to FAH project 18436 <atoms v="8500"/> <stats_credit v="1825"/> Timeout of 2.0 days and a deadline of 3.5 days Project description: https://apps.foldingathome.org/project?p=18436 These projects have an nCPU<=8 filter (they are less ...

We have released new CPU (GRO_A8) project 18435 to FAH <atoms v="8500"/> <stats_credit v="1825"/> Timeout of 2.0 days and a deadline of 3.5 days Project description: https://apps.foldingathome.org/project?p=18433 These projects are designed to help us test our ability to predict ...

New CPU (GRO_A8) projects 18433, 18434 released to FAH 18433 <atoms v="8500"/> <stats_credit v="5400"/> 18434 <atoms v="4091"/> <stats_credit v="2460"/> Both projects have timeout of 2.0 days and a deadline of 3.5 days, and a nCPU<=8 filter (they are smaller, ...

We are releasing new CPU (GRO_A8) project 18430

<atoms v="6650"/>
<stats_credit v="1380"/>
<timeout v="2.0"/>
<deadline v="3.5"/>

Projects description:
https://apps.foldingathome.org/project?p=18430

Thanks!

We are releasing new CPU (GRO_A8) project 16977 to FAH
Project description here: https://stats.foldingathome.org/project?p=16977

<project type="GRO_A8" id="16977">
<stats_credit v="3400"/>
<timeout v="3.0"/>
<deadline v="5.0"/>

We're releasing a new project to FAH on machines with nCPUs >= 4: Project description here: https://stats.foldingathome.org/project?p=16969 <project type="GRO_A8" id="16969"> <stats_credit v="8368"/> <timeout v="3.0"/> <deadline v="5.0"/>

We're releasing a new project to FAH on machines with nCPUs >= 4: Project description here: https://stats.foldingathome.org/project?p=16959 <project type="GRO_A8" id="16959"> <stats_credit v="8368"/> <timeout v="3.0"/> <deadline v="5.0"/>

Releasing CPU (GRO_A8) project 16955 to FAH This project simulates human enzyme lactate dehydrogenase (LDH) Project description here: https://stats.foldingathome.org/project?p=16955 <project type="GRO_A8" id="16955"> <stats_credit v="4040"/> <timeout v="3.0"/>...