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Mutation-Driven Remodeling of the LRRK2 Kinase Free-Energy Landscape and Its Consequences for Conformational Transitions and Inhibitor Binding Affinity.

Journal of chemical information and modeling - 25 May 2026

Ghosh Rajesh, Bhanja Kousik K, Patra Niladri

Abstract excerpt

Parkinson's disease (PD), the second most common age-related neurodegenerative disorder worldwide, is associated with mutations in several genes, one of which is LRRK2 (leucine-rich repeat kinase 2). Despite cryo-EM structures elucidating the active and inactive architectures of the wild type (WT), the regulatory mechanisms and intermediate conformational states (INTs) that facilitate the transition between these...

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PMID: 42130234
DOI: 10.1021/acs.jcim.6c00156

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026.

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