This is the Linux app named WISP whose latest release can be downloaded as wisp-1.0.zip. It can be run online in the free hosting provider OnWorks for workstations.
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WISP
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DESCRIPTION
UPDATE: LATEST VERSION AT http://git.durrantlab.com//jdurrant/wisp
Allostery can occur by way of subtle cooperation among protein residues (e.g., amino acids) even in the absence of large conformational shifts. Dynamical network analysis has been used to model this cooperation, helping to computationally explain how binding to an allosteric site can impact the behavior of a primary site often many angstroms away. Traditionally, computational efforts have focused on the most optimal path of correlated motions leading from the allosteric to the primary active site. We present a program called Weighted Implementation of Suboptimal Paths (WISP) capable of rapidly identifying additional suboptimal pathways that may also play important roles in the transmission of allosteric signals. Aside from providing signal redundancy, suboptimal paths traverse residues that, if disrupted through pharmacological or mutational means, could modulate the allosteric regulation of important drug targets.
Audience
Science/Research
User interface
Console/Terminal, Command-line, Plugins
Programming Language
Python, Tcl
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/wisp-pathways/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
