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Structure (London, England : 1993)|January 17, 2004
Molecular basis of proton blockage in aquaporinsNilmadhab Chakrabarti, Emad Tajkhorshid, Benoît Roux, et al.Journal of Chemical Theory and Computation|October 5, 2021
Global Optimization of the Lennard-Jones Parameters for the Drude Polarizable Force FieldChetan R Rupakheti, Alexander D MacKerell, Benoît RouxProceedings of the National Academy of Sciences of the United States of America|August 28, 2010
Multidomain assembled states of Hck tyrosine kinase in solutionSichun Yang, Lydia Blachowicz, Lee Makowski, et al.Proceedings of the National Academy of Sciences of the United States of America|December 24, 2003
Energetics of ion conduction through the gramicidin channelToby W Allen, Olaf S Andersen, Benoît RouxProceedings of the National Academy of Sciences of the United States of America|October 24, 2022
Mechanism of voltage gating in the voltage-sensing phosphatase Ci-VSPRong Shen, Yilin Meng, Benoît Roux, et al.Journal of Chemical Theory and Computation|November 26, 2015
Calculation of Free Energy Landscape in Multi-Dimensions with Hamiltonian-Exchange Umbrella Sampling on Petascale SupercomputerWei Jiang, Yun Luo, Luca Maragliano, et al.The Journal of Physical Chemistry Letters|August 4, 2018
Zooming across the Free-Energy Landscape: Shaving Barriers, and Flooding ValleysHaohao Fu, Hong Zhang, Haochuan Chen, et al.Biophysical Journal|December 2, 2009
Membrane curvature induced by aggregates of LH2s and monomeric LH1sDanielle E Chandler, James Gumbart, John D Stack, et al.The Journal of Physical Chemistry. B|September 16, 2014
From material science to avant-garde cuisine. The art of shaping liquids into spheresHaohao Fu, Yingzhe Liu, Ferran Adrià, et al.Journal of Chemical Theory and Computation|July 7, 2026
A Force-Kernel Reformulation of the Extended-System Adaptive Biasing Force for Free-Energy CalculationsChristopher Kang, Rahul Verma, Aditya Sonpal, et al.Pageof 59