Project 14124(GPU, OpenMM21) to BETA

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juanmit
Scientist
Posts: 41
Joined: Thu Feb 11, 2016 10:55 pm

Project 14124(GPU, OpenMM21) to BETA

Post by juanmit »

Releasing new OpenMM21 projects to BETA

Projects number: p14124 on vav4.ocis.temple.edu



These simulations are designed to test our understanding the folding mechanism of alpha-helical hairpins. We are trying to study how disulfide cross-linkers and sequence variants affect the folding thermodynamics and kinetics of these proteins, to learn how we might better use molecular simulation methods to design effective protein binder scaffolds, for use as "affibody" cancer therapeutics, for example. (https://apps.foldingathome.org/project.py?p=14124)

project 14124
stats credit: 38000
timeout: 5
deadline 7
k-factor v=0.75
number of atoms: 13839
sizhang
Scientist
Posts: 115
Joined: Thu Oct 18, 2018 1:44 pm

Re: Project 14124(GPU, OpenMM21) to BETA

Post by sizhang »

Hi,

This is Si Zhang, responsible for this project(14124). Now we're ready to release this project to ADVANCED.
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