Project 14124(GPU, OpenMM21) to BETA

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Project 14124(GPU, OpenMM21) to BETA

Postby juanmit » Thu Oct 18, 2018 2:11 pm

Releasing new OpenMM21 projects to BETA

Projects number: p14124 on

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. (

project 14124
stats credit: 38000
timeout: 5
deadline 7
k-factor v=0.75
number of atoms: 13839
Posts: 41
Joined: Thu Feb 11, 2016 11:55 pm

Re: Project 14124(GPU, OpenMM21) to BETA

Postby sizhang » Thu Nov 01, 2018 3:03 pm


This is Si Zhang, responsible for this project(14124). Now we're ready to release this project to ADVANCED.
Posts: 64
Joined: Thu Oct 18, 2018 2:44 pm

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