Stretching simulation of an alpha-helical protein domain

By Markus Buehler1; Justin Riley1; Joo-Hyoung Lee; Jeffrey C Grossman2

1. Massachusetts Institute of Technology (MIT) 2. Massachusetts Institute of Technology

Uses steered molecular dynamics (SMD) to apply a tensile load to the ends of a molecule (such as an alpha-helical protein domain)

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Version 1.0w - published on 19 Mar 2015

doi:10.4231/D3M90241X cite this

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Location of all "Stretching simulation of an alpha-helical protein domain" Users Since Its Posting

Cumulative Simulation Users

480

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Simulation Runs

3,586

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Wall Clock Time 1.09 days 2924.1 days
CPU time 42.82 minutes 79.75 days
Interaction Time 1.95 hours 217.83 days