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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 1.0 - published on 02 Mar 2011

doi:10.4231/D3SX6490J cite this

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Usage

World usage

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

Simulation Users

140

24 28 30 30 31 31 31 31 44 55 57 57 69 97 99 100 100 100 101 101 101 102 102 104 117 140 140

Users By Organization Type
Type Users
Educational - University 113 (80.71%)
Unidentified 23 (16.43%)
Educational - Pre-College 2 (1.43%)
National Lab 2 (1.43%)
Users by Country of Residence
Country Users
us UNITED STATES 109 (93.97%)
mo MACAO 1 (0.86%)
ar ARGENTINA 1 (0.86%)
fr FRANCE 1 (0.86%)
kr KOREA, REPUBLIC OF 1 (0.86%)
gb UNITED KINGDOM 1 (0.86%)
bj BENIN 1 (0.86%)
it ITALY 1 (0.86%)

Simulation Runs

1,409

185 249 276 276 277 277 277 277 298 519 523 523 560 982 1066 1080 1080 1080 1081 1081 1081 1083 1083 1086 1166 1402 1409
Overview
Average Total
Wall Clock Time 10.26 hours 315.63 days
CPU time 1.79 hours 55.03 days
Interaction Time 3.71 hours 114.15 days

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