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Home Tools Functionalization Workbench Usage

Functionalization Workbench

By AbderRahman N Sobh1, Chen-Yu Li1

1. University of Illinois at Urbana-Champaign

Using molecular dynamic simulation - explore the interactions between a molecular structure and substrate when they are linked together.

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Version 2.00 - published on 22 Dec 2015

doi:10.4231/D3KK94D35 cite this

This tool is closed source.

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Usage

World usage

Location of all "Functionalization Workbench" Users Since Its Posting

Simulation Users

63

12 17 19 24 27 27 29 33 34 35 36 38 39 41 39 44 44 45 47 48 49 52 54 56 61 63

Users By Organization Type
Type Users
Educational - University 33 (52.38%)
Unidentified 26 (41.27%)
Industry 1 (1.59%)
Educational - Unspec. Level 1 (1.59%)
Educational - Pre-College 1 (1.59%)
National Lab 1 (1.59%)
Users by Country of Residence
Country Users
us UNITED STATES 20 (54.05%)
in INDIA 9 (24.32%)
mx MEXICO 1 (2.7%)
au AUSTRALIA 1 (2.7%)
dz ALGERIA 1 (2.7%)
hk HONG KONG 1 (2.7%)
ir IRAN, ISLAMIC REPUBLIC OF 1 (2.7%)
my MALAYSIA 1 (2.7%)
de GERMANY 1 (2.7%)
es SPAIN 1 (2.7%)

Simulation Runs

295

146 169 189 233 246 246 253 265 270 271 274 277 281 283 172 185 185 186 189 192 194 199 223 233 287 295
Overview
Average Total
Wall Clock Time 20.78 hours 116.87 days
CPU time 25.33 minutes 2.37 days
Interaction Time 40.04 minutes 3.75 days

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