[gmx-users] Free energy calculation

[Justin Lemkul]

On 6/22/15 7:10 AM, nazli kashani javid wrote:
> thanks for your clear answer.
>
> Is there any reasonable method for calculating free energy of solvation for
> my protein? :-(
>

Try MM/PBSA or MM/GBSA calculations.

-Justin

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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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