Unique Microswitches Positioned Extracellular to the Orthosteric Binding Site Initiate Activation in the β1-Adrenergic Receptor.

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Title: Unique Microswitches Positioned Extracellular to the Orthosteric Binding Site Initiate Activation in the β1-Adrenergic Receptor.
Authors: Koulgi S; HPC-Medical & Bioinformatics Applications Group, Centre for Development of Advanced Computing (C-DAC), Innovation Park, Panchawati, Pashan, Pune 411008, India.; Bioinformatics Centre, Savitribai Phule Pune University, Pune 411007, India., Harman TH; Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, U.K., Jones AJY; Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, U.K., Sonavane U; HPC-Medical & Bioinformatics Applications Group, Centre for Development of Advanced Computing (C-DAC), Innovation Park, Panchawati, Pashan, Pune 411008, India., Nietlispach D; Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, U.K., Sengupta D; CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune 411008, India.; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201 002, India., Joshi M; Bioinformatics Centre, Savitribai Phule Pune University, Pune 411007, India.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2026 Apr 13; Vol. 66 (7), pp. 4021-4032. Date of Electronic Publication: 2026 Mar 27.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1549-960X
DOI:10.1021/acs.jcim.5c02542