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Journal of Chemical Information and Modeling|July 21, 2016
A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase SimulationsFlorent Hédin, Krystel El Hage, Markus MeuwlyJournal of Chemical Theory and Computation|November 21, 2015
Spatial Averaging: Sampling Enhancement for Exploring Configurational Space of Atomic Clusters and BiomoleculesFlorent Hédin, Nuria Plattner, J D Doll, et al.The Journal of Physical Chemistry. B|January 13, 2015
Vibrational relaxation and energy migration of N-methylacetamide in water: the role of nonbonded interactionsPierre-André Cazade, Florent Hédin, Zhen-Hao Xu, et al.Elife|June 21, 2019
Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'Krystel El Hage, Florent Hédin, Prashant K Gupta, et al.Elife|July 13, 2018
Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box sizeKrystel El Hage, Florent Hédin, Prashant K Gupta, et al.The Journal of Physical Chemistry Letters|May 1, 2025
Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy CalculationsNarjes Ansari, Zhifeng Francis Jing, Antoine Gagelin, et al.Communications Biology|October 1, 2025
Targeting RNA with small molecules using state-of-the-art methods provides highly predictive affinities of riboswitch inhibitorsNarjes Ansari, Chengwen Liu, Florent Hédin, et al.Chemical Science|April 18, 2022
Computationally driven discovery of SARS-CoV-2 M<sup>pro</sup> inhibitors: from design to experimental validationLéa El Khoury, Zhifeng Jing, Alberto Cuzzolin, et al.Pageof 1