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Journal of Chemical Information and Modeling|July 3, 2026
Derisking Affinity Optimization for Macrocycles and Cyclic Peptides: High-Precision Free Energy Simulations across Five Diverse TargetsErnest Awoonor-Williams, Alexandre Beautrait, Loukas Petridis, et al.Proteins|February 16, 2008
Induced fit in liver X receptor beta: a molecular dynamics-based investigationAlexandre Beautrait, Arnaud S Karaboga, Michel Souchet, et al.Journal of Molecular Modeling|March 12, 2008
SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfacesWensheng Cai, Jiawei Xu, Xueguang Shao, et al.Trends in Biochemical Sciences|May 9, 2018
Emerging Paradigm of Intracellular Targeting of G Protein-Coupled ReceptorsMadhu Chaturvedi, Justin Schilling, Alexandre Beautrait, et al.Science Signaling|April 27, 2012
Differential β-arrestin-dependent conformational signaling and cellular responses revealed by angiotensin analogsBrandon Zimmerman, Alexandre Beautrait, Benjamin Aguila, et al.Methods (San Diego, Calif.)|April 19, 2015
Quantifying biased signaling in GPCRs using BRET-based biosensorsYoon Namkung, Olivier Radresa, Sylvain Armando, et al.Scientific Reports|November 23, 2016
Identification of Polo-like kinase 1 interaction inhibitors using a novel cell-based assayKarine Normandin, Jean-François Lavallée, Marie Futter, et al.Journal of Molecular Modeling|May 5, 2006
A fast surface-matching procedure for protein-ligand dockingMichel E B Yamagishi, Natália F Martins, Goran Neshich, et al.Journal of Chemical Theory and Computation|August 16, 2022
Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology ModelsTianchuan Xu, Kai Zhu, Alexandre Beautrait, et al.Proceedings of the National Academy of Sciences of the United States of America|September 2, 2015
Receptor sequestration in response to β-arrestin-2 phosphorylation by ERK1/2 governs steady-state levels of GPCR cell-surface expressionJustine S Paradis, Stevenson Ly, Élodie Blondel-Tepaz, et al.Pageof 2