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Journal of Molecular Biology|November 22, 2005
Molecular dynamics simulations of the influenza hemagglutinin fusion peptide in micelles and bilayers: conformational analysis of peptide and lipidsPatrick Lagüe, Benoît Roux, Richard W PastorJournal of the American Chemical Society|March 2, 2016
Molecular Mechanism of Processive 3' to 5' RNA Translocation in the Active Subunit of the RNA Exosome ComplexLela Vuković, Christophe Chipot, Debora L Makino, et al.Nucleic Acids Research|November 24, 2011
Recognition of methylated DNA through methyl-CpG binding domain proteinsXueqing Zou, Wen Ma, Ilia A Solov'yov, et al.Journal of Chemical Theory and Computation|May 17, 2023
Improving Speed and Affordability without Compromising Accuracy: Standard Binding Free-Energy Calculations Using an Enhanced Sampling Algorithm, Multiple-Time Stepping, and Hydrogen Mass RepartitioningMarharyta Blazhynska, Emma Goulard Coderc de Lacam, Haochuan Chen, et al.Journal of Medicinal Chemistry|January 5, 2002
Rational determination of transfer free energies of small drugs across the water-oil interfaceDelphine Bas, Delphine Dorison-Duval, Stéphanie Moreau, et al.Journal of Chemical Theory and Computation|February 6, 2019
Enthalpy-Entropy Interplay in π-Stacking Interaction of Benzene Dimer in WaterHankyul Lee, François Dehez, Christophe Chipot, et al.Nature Communications|May 15, 2025
Structural dynamics and permeability of the TRPV3 pentamerShifra Lansky, Zhaokun Wang, Oliver B Clarke, et al.The Journal of Physical Chemistry. B|August 6, 2010
RNA structure determination using SAXS dataSichun Yang, Marc Parisien, François Major, et al.The Journal of Chemical Physics|February 10, 2026
A theoretical framework for random acceleration molecular dynamics simulationsYiwei Ding, Alessia Ghidini, Pilar Cossio, et al.Journal of Molecular Biology|November 26, 2009
Cation-selective pathway of OmpF porin revealed by anomalous X-ray diffractionBalasundaresan Dhakshnamoorthy, Suchismita Raychaudhury, Lydia Blachowicz, et al.Pageof 59