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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 1.04 - published on 22 Aug 2014

doi:10.4231/D33J39229 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

6 10 10 11 11 12 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 18 18 18 19 20 20 20 21 21 22 22 23 23 23 26 26 26 26

Users By Organization Type
Type Users
Educational - University 23 (88.46%)
Unidentified 2 (7.69%)
Unemployed 1 (3.85%)
Users by Country of Residence
Country Users
us UNITED STATES 15 (62.5%)
dk DENMARK 2 (8.33%)
in INDIA 2 (8.33%)
cz CZECH REPUBLIC 1 (4.17%)
fr FRANCE 1 (4.17%)
mx MEXICO 1 (4.17%)
pl POLAND 1 (4.17%)
my MALAYSIA 1 (4.17%)

Simulation Runs

2,056

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Overview
Average Total
Wall Clock Time 7.51 minutes 18.98 days
CPU time 1.7 minutes 4.31 days
Interaction Time 2.63 minutes 6.65 days

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