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AlloPathFinder 1.1


Ultrabook / Netbook Software Downloads » Education Softwares » AlloPathFinder 1.1
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Date Added:

 Aug 25, 2011 06:56 AM

Publisher's Description:

 This project contains the AlloPathFinder application that allows users to compute likely allosteric pathways in proteins. The underlying assumption is that residues participating in allosteric communication should be fairly conserved and that communication happens through residues that are close in space.
The initial application for the code provided was to study the allosteric communication in myosin. Myosin is a well-studied molecular motor protein that walks along actin filaments to achieve cellular tasks such as movement of cargo proteins.
It couples ATP hydrolysis to highly-coordinated conformational changes that result in a power-stroke motion, or ''walking'' of myosin. Communication between a set of residues must link the three functional regions of myosin and transduce energy: the catalytic ATP binding region, the lever arm, and the actin-binding domain. We are investigating which residues are likely to participate in allosteric communication pathways.

Available Downloads and Their Potential Uses: The application is a collection of C++/QT code, suitable for reproducing the computational results of this paper.
In addition, we provide input and alignment information to reproduce Figure 3 (a key figure) in our paper.
Following our examples will also show you how to use AlloPathFinder with other protein familes, assumed to exhibit an allosteric communication. To run the application a multiple sequence alignment of representative proteins from the protein family is required along with at least one protein structure.

Documentation:

 https://simtk.org/home/allopathfinder

Last Download:

 Apr 11, 2024 01:16 AM

Downloads:

 267

OS:

 Windows

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