A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric modulators for cardiovascular dysfunctions

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dc.contributor.authorKhalid, Rana Rehan
dc.contributor.authorMaryam, Arooma
dc.contributor.authorCinaroglu, Suleyman Selim
dc.contributor.authorSiddiqi, Abdul Rauf
dc.contributor.authorSezerman, Osman Ugur
dc.date.accessioned2025-10-16T15:19:55Z
dc.date.issued2022
dc.identifier.doi10.1080/07391102.2021.1877818
dc.identifier.otherWOS:000613397000001
dc.identifier.urihttps://openaccess.acibadem.edu.tr/handle/11443/7431
dc.publisherTAYLOR \& FRANCIS INC
dc.sourceJOURNAL OF BIOMOLECULAR STRUCTURE \& DYNAMICS
dc.subjectMolecular docking
dc.subjectscoring function evaluation
dc.subjecthuman soluble guanylate cyclase
dc.subjectmolecular dynamics simulations
dc.subjectclustering
dc.subjectper\\-residue energy decomposition
dc.titleA recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric modulators for cardiovascular dysfunctions
dc.typeArticle

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