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.

Project Activity

See All Activity >

License

Academic Free License (AFL)

Follow WISP

WISP Web Site

Other Useful Business Software
Get Avast Free Antivirus | Your top-rated shield against malware and online scams Icon
Get Avast Free Antivirus | Your top-rated shield against malware and online scams

Boost your PC's defense against cyberthreats and web-based scams.

Our antivirus software scans for security and performance issues and helps you to fix them instantly. It also protects you in real time by analyzing unknown files before they reach your desktop PC or laptop — all for free.
Free Download
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of WISP!

Additional Project Details

Operating Systems

Linux, Mac, Windows

Intended Audience

Science/Research

User Interface

Console/Terminal, Command-line, Plugins

Programming Language

Python, Tcl

Related Categories

Python Simulation Software, Python Chemistry Software, Python Bio-Informatics Software, Tcl Simulation Software, Tcl Chemistry Software, Tcl Bio-Informatics Software

Registered

2013-09-20