MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate

By Lisa Felberg1, Ignacio Franco1, Martin McCullagh1, Mark Ratner1, George C. Schatz1, Marcelo Carignano1

1. Northwestern University

Estimates the force required for stretching a molecule and determines the potential of mean force along the extension coordinate.

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Version 1.04 - published on 22 Aug 2014

doi:10.4231/D33J39229 cite this

This tool is closed source.

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Versions

Version Released DOI Handle Published
1.04 22 Aug 2014 doi:10.4231/D33J39229 yes
1.03 12 Jul 2011 doi:10.4231/D3G44HQ4X no
1.02 17 May 2011 doi:10.4231/D3N00ZT1V no
1.01 23 Feb 2011 doi:10.4231/D3639K50Q no
1.0 04 Jan 2011 doi:10.4231/D3NG4GR6X no