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Project 14124(GPU, OpenMM21) to BETA

PostPosted: Thu Oct 18, 2018 1:11 pm
by juanmit
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

Re: Project 14124(GPU, OpenMM21) to BETA

PostPosted: Thu Nov 01, 2018 2:03 pm
by sizhang

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