Difference between revisions of "Molecular Dynamics Simulations Analysis Hemochromatosis"

From Bioinformatikpedia
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== DUMMY ==
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== Dummy ==
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=== Calculation statistics ===
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<figtable id="tab:simulation_stats">
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<caption>Statistics of the MD simulations</caption>
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{| style="border-collapse: separate; border-spacing: 0; border-width: 1px; border-style: solid; padding-left:5px; padding-right:5px; border-color: #000; padding: 0"
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! style="border-style: solid; padding-left:5px; padding-right:5px; border-width: 0 1px 1px 0;"| Input
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! style="border-style: solid; padding-left:5px; padding-right:5px; border-width: 0 1px 1px 0;"| Calc. time
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! style="border-style: solid; padding-left:5px; padding-right:5px; border-width: 0 1px 1px 0;"| Calc. speed
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! style="border-style: solid; padding-left:5px; padding-right:5px; border-width: 0 1px 1px 0;"| time to reach 1 s
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|-
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| style="border-style: solid; padding-left:5px; padding-right:5px; border-width: 0 1px 1px 0; font-style:italic;"| Wildtype
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 13h31:15
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 17.750 ns/day
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 154350,8 years
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|-
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| style="border-style: solid; padding-left:5px; padding-right:5px; border-width: 0 1px 1px 0; font-style:italic;"| C282S
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 13h35:05
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 17.667 ns/day
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 155075,9 years
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|-
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| style="border-style: solid; padding-left:5px; padding-right:5px; border-width: 0 1px 1px 0; font-style:italic;"| R224W
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 13h35:02
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 17.668 ns/day
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 155067,1 years
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|-
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| style="border-style: solid; padding-left:5px; padding-right:5px; border-width: 0 1px 1px 0; font-style:italic;"| L183P
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 13h24:04
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 17.909 ns/day
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 152980,4 years
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|-
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| style="border-style: solid; padding-left:5px; padding-right:5px; border-width: 0 1px 1px 0; font-style:italic;"| T217I
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 13h20:12
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 17.995 ns/day
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| style="border-style: solid; padding-left:5px; padding-right:5px; text-align: right; border-width: 0 1px 1px 0;"| 152249,3 years
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|-
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|}
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</figtable>
   
   

Revision as of 14:40, 24 July 2012

Hemochromatosis>>Task 10: Molecular dynamics simulations analysis


Short task description

Detailed description: Molecular dynamics simulations analysis


Protocol

A protocol with a description of the data acquisition and other scripts used for this task is available here.


Dummy

Calculation statistics

<figtable id="tab:simulation_stats"> Statistics of the MD simulations

Input Calc. time Calc. speed time to reach 1 s
Wildtype 13h31:15 17.750 ns/day 154350,8 years
C282S 13h35:05 17.667 ns/day 155075,9 years
R224W 13h35:02 17.668 ns/day 155067,1 years
L183P 13h24:04 17.909 ns/day 152980,4 years
T217I 13h20:12 17.995 ns/day 152249,3 years

</figtable>



References

<references/>


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