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Biophysical Journal|December 6, 2005
Probing a model of a GPCR/ligand complex in an explicit membrane environment: the human cholecystokinin-1 receptorJérôme Hénin, Bernard Maigret, Mounir Tarek, et al.The Journal of Cell Biology|May 19, 2004
Carbohydrate-carbohydrate interaction provides adhesion force and specificity for cellular recognitionIwona Bucior, Simon Scheuring, Andreas Engel, et al.The Journal of Physical Chemistry Letters|November 7, 2019
Molecular Bases of DNA Packaging in Bacteria Revealed by All-Atom Molecular Dynamics Simulations: The Case of Histone-Like Proteins in Borrelia burgdorferiCécilia Hognon, Simon Garaude, Joanna Timmins, et al.Accounts of Chemical Research|December 22, 2025
One for All, All for One: A Unified Framework for Free-Energy CalculationsMengchen Zhou, Xuyang Liu, Xueguang Shao, et al.Journal of Chemical Theory and Computation|May 4, 2026
Free-Energy Landscapes of HBV Hexamer Closure Reveal Key Structural Features of the TransitionZixing Fan, Anna Pavlova, Diane L Lynch, et al.The Journal of Physical Chemistry Letters|June 30, 2022
Hazardous Shortcuts in Standard Binding Free Energy CalculationsMarharyta Blazhynska, Emma Goulard Coderc de Lacam, Haochuan Chen, et al.The Journal of Physical Chemistry. B|September 24, 2014
The adaptive biasing force method: everything you always wanted to know but were afraid to askJeffrey Comer, James C Gumbart, Jérôme Hénin, et al.Journal of Chemical Theory and Computation|September 10, 2025
Development of Coarse-Grained Lipid Force Fields Based on a Graph Neural NetworkZhenyu Liao, Ting Si, Tairan Wang, et al.The Journal of Physical Chemistry. B|July 5, 2022
Computational Assessment of Protein-Protein Binding Specificity within a Family of Synaptic Surface ReceptorsPrithviraj Nandigrami, Florence Szczepaniak, Christopher T Boughter, et al.Journal of Molecular Biology|July 28, 2009
Quinone pathways in entire photosynthetic chromatophores of Rhodospirillum photometricumLu-Ning Liu, Katia Duquesne, James N Sturgis, et al.Pageof 36