Publications by authors named "Alexandre Beautrait"

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Unique Interactions of Novel Rufomycin "Click Chemistry" Analogs with ClpC1 and Implications.
Kiira Ratia, Shengnan Jin, Celerino Abad-Zapatero, Gauri S Shetye, Robel Demissie, Alexandre Beautrait

J Med Chem· December 2025

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Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
Mayako Michino, Alexandre Beautrait, Nicholas A Boyles, Aparna Nadupalli, Alexey Dementiev

ACS Bio Med Chem Au· December 2023

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Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations.
Wei Chen, Di Cui, Steven V Jerome, Mayako Michino, Eelke B Lenselink, Alexandre Beautrait

J Chem Inf Model· May 2023

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Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models.
Tianchuan Xu, Kai Zhu, Alexandre Beautrait, Jeremie Vendome, Kenneth W Borrelli

J Chem Theory Comput· September 2022

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Discovery of a dual Ras and ARF6 inhibitor from a GPCR endocytosis screen.
Jenna Giubilaro, Doris A Schuetz, Tomasz M Stepniewski, Yoon Namkung, Etienne Khoury, Alexandre Beautrait

Nat Commun· August 2021

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Beta-arrestins operate an on/off control switch for focal adhesion kinase activity.
Revu Ann Alexander, Isaure Lot, Kusumika Saha, Guillaume Abadie, Mireille Lambert, Alexandre Beautrait

Cell Mol Life Sci· December 2020

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Identification of Allosteric Inhibitors against Active Caspase-6.
Agne Tubeleviciute-Aydin, Alexandre Beautrait, Jeffrey Lynham, Gyanesh Sharma, Alexei Gorelik

Sci Rep· April 2019

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Emerging Paradigm of Intracellular Targeting of G Protein-Coupled Receptors.
Madhu Chaturvedi, Justin Schilling, Alexandre Beautrait, Michel Bouvier, Jeffrey L Benovic

Trends Biochem Sci· July 2018

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A new inhibitor of the β-arrestin/AP2 endocytic complex reveals interplay between GPCR internalization and signalling.
Alexandre Beautrait, Justine S Paradis, Brandon Zimmerman, Jenna Giubilaro, Ljiljana Nikolajev

Nat Commun· April 2017

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Identification of Polo-like kinase 1 interaction inhibitors using a novel cell-based assay.
Karine Normandin, Jean-François Lavallée, Marie Futter, Alexandre Beautrait, Jean Duchaine

Sci Rep· November 2016

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Quantifying biased signaling in GPCRs using BRET-based biosensors.
Yoon Namkung, Olivier Radresa, Sylvain Armando, Dominic Devost, Alexandre Beautrait

Methods· January 2016

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Receptor sequestration in response to β-arrestin-2 phosphorylation by ERK1/2 governs steady-state levels of GPCR cell-surface expression.
Justine S Paradis, Stevenson Ly, Élodie Blondel-Tepaz, Jacob A Galan, Alexandre Beautrait

Proc Natl Acad Sci U S A· September 2015

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Mapping the putative G protein-coupled receptor (GPCR) docking site on GPCR kinase 2: insights from intact cell phosphorylation and recruitment assays.
Alexandre Beautrait, Kevin R Michalski, Thomas S Lopez, Katelynn M Mannix, Devin J McDonald

J Biol Chem· September 2014

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Differential β-arrestin-dependent conformational signaling and cellular responses revealed by angiotensin analogs.
Brandon Zimmerman, Alexandre Beautrait, Benjamin Aguila, Ricardo Charles, Emanuel Escher

Sci Signal· April 2012

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Induced fit in liver X receptor beta: a molecular dynamics-based investigation.
Alexandre Beautrait, Arnaud S Karaboga, Michel Souchet, Bernard Maigret

Proteins· August 2008

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SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfaces.
Wensheng Cai, Jiawei Xu, Xueguang Shao, Vincent Leroux, Alexandre Beautrait

J Mol Model· May 2008

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Multiple-step virtual screening using VSM-G: overview and validation of fast geometrical matching enrichment.
Alexandre Beautrait, Vincent Leroux, Matthieu Chavent, Léo Ghemtio, Marie-Dominique Devignes

J Mol Model· February 2008

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A fast surface-matching procedure for protein-ligand docking.
Michel E B Yamagishi, Natália F Martins, Goran Neshich, Wensheng Cai, Xueguang Shao, Alexandre Beautrait

J Mol Model· September 2006

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