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[新闻] Project 14176, 14177 and 14178 (GPU, OpenMM21) to BETA

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发表于 2019-4-18 08:35:59 | 显示全部楼层 |阅读模式
PPD没啥惊喜,传统的core21内核表现

Project 14176, 14177 and 14178 (GPU, OpenMM21) to BETA
by sizhang » Wed Apr 17, 2019 11:06 pm
[size=1.3em]Releasing new OpenMM21 projects to BETA

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 number: 14176, 14177 and 14178
stats credit: 38000
timeout: 5
deadline: 7
k-factor =0.75
number of atoms: 13228


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