Functionalization Workbench

By AbderRahman N Sobh1, Chen-Yu Li1, Nahil Sobh1, Aleksei Aksimentiev1

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 2.1c - published on 22 Nov 2016

doi:10.4231/D3GM81Q11 cite this

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1740 It is 3 days that I could not run Functionalization.
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1612 how can i import my structures
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1362 Request for more instructions and explanation
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