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

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

This tool is closed source.

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Usage

World usage

Location of all "MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate" Users Since Its Posting

Simulation Users

26

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Users By Organization Type
Type Users
Educational - University 22 (84.62%)
Unidentified 3 (11.54%)
Unemployed 1 (3.85%)
Users by Country of Residence
Country Users
us UNITED STATES 14 (60.87%)
dk DENMARK 2 (8.7%)
in INDIA 2 (8.7%)
my MALAYSIA 1 (4.35%)
cz CZECH REPUBLIC 1 (4.35%)
fr FRANCE 1 (4.35%)
mx MEXICO 1 (4.35%)
pl POLAND 1 (4.35%)

Simulation Runs

2,052

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Overview
Average Total
Wall Clock Time 7.51 minutes 18.97 days
CPU time 1.7 minutes 4.31 days
Interaction Time 2.63 minutes 6.64 days

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