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Home › Resources › Tools › MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate › Supporting Docs

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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 1.03 - published on 12 Jul 2011

doi:10.4231/D3G44HQ4X cite this

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