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

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Bibliographic Details
Published in:Journal of biomolecular structure & dynamics 2018-07, Vol.36 (10), p.2508-2516
Main Authors: Karlov, Dmitry S., Lavrov, Mstislav I., Palyulin, Vladimir A., Zefirov, Nikolay S.
Format: Article
Language:English
Subjects:
Allosteric Regulation
Animals
Ligands
Linear Models
Molecular Dynamics Simulation
Protein Conformation
Rats
Receptors, AMPA - chemistry
Thermodynamics
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ISSN:0739-1102
1538-0254
DOI:10.1080/07391102.2017.1360208