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General Automated Atomic Model Parameterization

One of the key concepts in the design of the present Consortium is out ability to rationalize through computational means a vast amount of static and dynamics structural data with functional information. The computational Core is designed to generate, implement, validate and distribute state-of-the-art

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General Automated Atomic Model Parameterization | gaamp.lcrc.anl.gov Reviews
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One of the key concepts in the design of the present Consortium is out ability to rationalize through computational means a vast amount of static and dynamics structural data with functional information. The computational Core is designed to generate, implement, validate and distribute state-of-the-art
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1 membrane protein
2 director's statement
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4 news
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6 core facilities
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General Automated Atomic Model Parameterization | gaamp.lcrc.anl.gov Reviews

https://gaamp.lcrc.anl.gov

One of the key concepts in the design of the present Consortium is out ability to rationalize through computational means a vast amount of static and dynamics structural data with functional information. The computational Core is designed to generate, implement, validate and distribute state-of-the-art

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New Software | Membrane Protein Structural Dynamics Gateway

http://memprotein.org/news-and-events/new-software

Annual Meeting and Conference. Conformational Transitions in P-class ATPases. Structural Dynamics of ABC Transporter. The Transport Cycle in Neurotransmitter Uptake Systems. Dynamics of Ion Permeation and Conformational Coupling in – KcsA. Conformational Dynamics in the CLC Channel/Transporter Family. Structural Dynamics of Hormone-Receptor Action. Investigating Conformational Changes in a Saccharide Transporter. Conformational Dynamics of a Glutamate Transporter Homologue. Tutorial Files and Methods.

fluxhpc.blogspot.com fluxhpc.blogspot.com

Flux HPC: XSEDE Gateways, Get on the HPC Train With Less Effort

http://fluxhpc.blogspot.com/2015/08/xsede-gateways-get-on-hpc-train-with.html

News and updates about the Flux high performance computing cluster at the University of Michigan. Sunday, August 2, 2015. XSEDE Gateways, Get on the HPC Train With Less Effort. We have written about XSEDE. Before, a set of national computing resources for research. List of current XSEDE Gateways. One might want to use a gateway for the following reasons:. Not comfortable with using super computers at the command line. Don't need the power of a huge system but need more than their laptop. Flux High-Speed ...

memprotein.org memprotein.org

Computational Modeling | Membrane Protein Structural Dynamics Gateway

http://memprotein.org/core-facilities/computational-modeling

Annual Meeting and Conference. Conformational Transitions in P-class ATPases. Structural Dynamics of ABC Transporter. The Transport Cycle in Neurotransmitter Uptake Systems. Dynamics of Ion Permeation and Conformational Coupling in – KcsA. Conformational Dynamics in the CLC Channel/Transporter Family. Structural Dynamics of Hormone-Receptor Action. Investigating Conformational Changes in a Saccharide Transporter. Conformational Dynamics of a Glutamate Transporter Homologue. Tutorial Files and Methods.

fluxhpc.blogspot.com fluxhpc.blogspot.com

Flux HPC: August 2015

http://fluxhpc.blogspot.com/2015_08_01_archive.html

News and updates about the Flux high performance computing cluster at the University of Michigan. Saturday, August 22, 2015. Flux High-Speed Data Transfer Service. Do you have a large data set on your own storage equipment that you would like to process on Flux? We can accommodate up to 40 gigabits per second of data transfer in and out of Flux via the campus Ethernet backbone. There is no additional cost to use this service, but you do need to contact us in order to set it up. The Flux BX5020 Gateway.

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General Automated Atomic Model Parameterization

A central issue with classical simulations concerns the accuracy and predictive value of the force field used to generate them. Providing a range of tools and services associated with the construction, parameterization, and optimization of empirical atomic force fields used in biomolecular computations is a primary aim of the CMC. Four types of potential functions are commonly utilized in most biomolecular computations: Coarse-grained (CG), extended atom, all-atom non-polarizable, and all-atom po...2 Mak...

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