P9116 moving to full fah/New Core 18 Windows Project P9116=Core 17 Projects:9115

金鹏

P9116 moving to full fah

by msultan » Wed Feb 04, 2015 11:20 am

Hello everyone,
I am moving p9116 to full fah. The project simulates the dyanmics of the fyn kinase. This project is on a modified potential and it is possible that the system is unstable. The project will be slowly ramped up and I will pull it if I hear reports of it crashing out. Let me know either way. If this method works, we could potentially see speed ups in simulation time allowing us to more efficiently use resources.

More Science:
The fyn kinase is an enzyme present in multiple signaling pathways whose aberrant behavior leads to cancerous cell growth, and has also been implicated in the invasion of the dengue virus. This project continues the Pande Lab's effort to map out the conformational landscape of the src kinase family. Recent work from our lab on a similar kinase found a potentially druggable intermediate state(Shukla et al, Nature2014). The main aim of the present simulation is to get a better understanding of Fyn's dynamics in order to design better therapeutics.

The link between fyn and dengue: http://www.ncbi.nlm.nih.gov/pubmed/23616652
Recent Src Results: http://www.nature.com/ncomms/2014/14030 ... s4397.html

Some Project Stats:
Core 18
OS Win
client-type        beta,advanced
timeout        8.0
deadline        10.0
k-factor        0.75
min-core-version        3
natoms        ~33000
stats-credit        4000

Thanks,
Muneeb



New Core 17 Beta Projects:9115

by msultan » Thu Jan 15, 2015 8:56 am

Hello everyone,
I am releasing a core17 beta project on the fyn kinase. This project is on a modified potential and it is possible that the system is unstable. The project will be slowly ramped up and I will pull it if I hear reports of it crashing out. Let me know either way. If this method works, we could potentially see speed ups in simulation time allowing us to more efficiently use resources.

More Science:
The fyn kinase is an enzyme present in multiple signaling pathways whose aberrant behavior leads to cancerous cell growth, and has also been implicated in the invasion of the dengue virus. This project continues the Pande Lab's effort to map out the conformational landscape of the src kinase family. Recent work from our lab on a similar kinase found a potentially druggable intermediate state(Shukla et al, Nature2014). The main aim of the present simulation is to get a better understanding of Fyn's dynamics in order to design better therapeutics.

The link between fyn and dengue: http://www.ncbi.nlm.nih.gov/pubmed/23616652
Recent Src Results: http://www.nature.com/ncomms/2014/14030 ... s4397.html

Some Project Stats:
client-type        beta
timeout        8.0
deadline        10.0
k-factor        0.75
gens        2000
min-core-version        46
natoms        ~33000
stats-credit        4000

Thanks,
Muneeb

WaltherNernst

一个新的关于Fyn激酶的Core17测试项目上线，该项目会逐步推送，可能存在不稳定。

关于Fyn激酶：这种酶会导致癌细胞生长。该项目延续了之前Src激酶家族的研究（Fyn激酶属于Src激酶家族，Src激酶在癌症的发病机制中处重要地位）。
该模拟主要是为了了解Fyn激酶的动力学，以便研制更好的治疗药物。

PS:我得好好学学生化了。。。。

金鹏

New Core 18 Windows Project P9116

by msultan » Fri Jan 23, 2015 6:57 am

Hello everyone,
I am releasing p9116 which is (hopefully) a fixed version of p9115. However it is now core18/windows only. Let me know if the system is still unstable.

Here the details:
I am releasing a core18 beta project on the fyn kinase. This project is on a modified potential and it is possible that the system is unstable. The project will be slowly ramped up and I will pull it if I hear reports of it crashing out. Let me know either way. If this method works, we could potentially see speed ups in simulation time allowing us to more efficiently use resources.

More Science:
The fyn kinase is an enzyme present in multiple signaling pathways whose aberrant behavior leads to cancerous cell growth, and has also been implicated in the invasion of the dengue virus. This project continues the Pande Lab's effort to map out the conformational landscape of the src kinase family. Recent work from our lab on a similar kinase found a potentially druggable intermediate state(Shukla et al, Nature2014). The main aim of the present simulation is to get a better understanding of Fyn's dynamics in order to design better therapeutics.

The link between fyn and dengue: http://www.ncbi.nlm.nih.gov/pubmed/23616652
Recent Src Results: http://www.nature.com/ncomms/2014/14030 ... s4397.html

Some Project Stats:
Core 18
OS Win
client-type        beta
timeout        8.0
deadline        10.0
k-factor        0.75
min-core-version        3
natoms        ~33000
stats-credit        4000

Thanks,
Muneeb

ocad1

不知什么时候能接到。

金鹏

P9116 moving to full fah

by msultan » Wed Feb 04, 2015 11:20 am

Hello everyone,
I am moving p9116 to full fah. The project simulates the dyanmics of the fyn kinase. This project is on a modified potential and it is possible that the system is unstable. The project will be slowly ramped up and I will pull it if I hear reports of it crashing out. Let me know either way. If this method works, we could potentially see speed ups in simulation time allowing us to more efficiently use resources.

More Science:
The fyn kinase is an enzyme present in multiple signaling pathways whose aberrant behavior leads to cancerous cell growth, and has also been implicated in the invasion of the dengue virus. This project continues the Pande Lab's effort to map out the conformational landscape of the src kinase family. Recent work from our lab on a similar kinase found a potentially druggable intermediate state(Shukla et al, Nature2014). The main aim of the present simulation is to get a better understanding of Fyn's dynamics in order to design better therapeutics.

The link between fyn and dengue: http://www.ncbi.nlm.nih.gov/pubmed/23616652
Recent Src Results: http://www.nature.com/ncomms/2014/14030 ... s4397.html

Some Project Stats:
Core 18
OS Win
client-type        beta,advanced
timeout        8.0
deadline        10.0
k-factor        0.75
min-core-version        3
natoms        ~33000
stats-credit        4000

Thanks,
Muneeb