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Calculate binding energy
- thu nguyen
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10 years 10 months ago #1645
by thu nguyen
Calculate binding energy was created by thu nguyen
Dear all,
I want to calculate the binding energy of two proteins. Can i set up umbrella sampling simulation with Martini to get PMF ?
Is there any another method for determining binding energy with Martini FF ?
Thankful for any idea!
Thu
I want to calculate the binding energy of two proteins. Can i set up umbrella sampling simulation with Martini to get PMF ?
Is there any another method for determining binding energy with Martini FF ?
Thankful for any idea!
Thu
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- djurre
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10 years 10 months ago #1646
by djurre
Replied by djurre on topic Calculate binding energy
Probably an umbrella sampling simulation is indeed your best shot.
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