MM-GBSA and MM-PBSA performance in activity evaluation of AMPA receptor positive allosteric modulators.

Authors :: Karlov DS
Lavrov MI
Palyulin VA
Zefirov NS
Source :: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2018 Aug; Vol. 36 (10), pp. 2508-2516. Date of Electronic Publication: 2017 Aug 10.
Publication Year :: 2018

Subjects :: Allosteric Regulation
Animals
Ligands
Linear Models
Protein Conformation
Rats
Thermodynamics
Molecular Dynamics Simulation
Receptors, AMPA chemistry

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