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Anthony T. Bogetti

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Open access Aug 2026

A Minimalist Model for Navigating Conformational Landscape Uncovers the Activation Mechanism of β2‑Adrenergic Receptor

A mechanistic understanding of GPCR activation is essential to designing modulators for its function. The lower energy of the inactive state under basal conditions, as well as the transient nature of intermediates have impeded the characterization of GPCR’s activation mechanisms at full-atomic scale. In this study, we...

Satyaki Saha, Anthony T. Bogetti, Ivet Bahar · 0 citations
Open access Jun 2026

DruGUI 2.0: mapping protein druggability with probe-based molecular dynamics

DruGUI 2.0 is developed to facilitate the search for druggable sites while allowing for proteins’ conformational flexibility, and complements, and benefits from, the vast collection of protein sequence, structure, and dynamics analyses modules accessible in ProDy.

Carlos Ventura, J. Y. Lee, Anthony T. Bogetti et al. · 0 citations

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