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The Journal of Physical Chemistry. B|November 6, 2024
Expanded Functionality and Portability for the Colvars LibraryGiacomo Fiorin, Fabrizio Marinelli, Lucy R Forrest, et al.Biorxiv : the Preprint Server for Biology|February 9, 2026
PySteMoDA: An Open-Source Python Package for the Analysis of Steered Molecular Dynamics Simulations DataIsmahene Mesbah, Colin Klaus, Marcos Sotomayor, et al.Antioxidants (Basel, Switzerland)|October 30, 2019
Targeting G-quadruplexes with Organic Dyes: Chelerythrine-DNA Binding Elucidated by Combining Molecular Modeling and Optical SpectroscopyAlessio Terenzi, Hugo Gattuso, Angelo Spinello, et al.Journal of Chemical Theory and Computation|January 16, 2026
Following the Committor Flow: A Data-Driven Discovery of Transition PathwaysCheng Giuseppe Chen, Chenyu Tang, Alberto Megías, et al.Journal of Structural Biology|September 18, 2007
Structural models of the supramolecular organization of AQP0 and connexons in junctional microdomainsSimon Scheuring, Nikolay Buzhynskyy, Szymon Jaroslawski, et al.Nature Neuroscience|March 25, 2014
Linker mutations reveal the complexity of synaptotagmin 1 action during synaptic transmissionHuisheng Liu, Hua Bai, Renhao Xue, et al.The Journal of Biological Chemistry|October 29, 2003
Structural role of PufX in the dimerization of the photosynthetic core complex of Rhodobacter sphaeroidesSimon Scheuring, Francesco Francia, Johan Busselez, et al.Proceedings of the National Academy of Sciences of the United States of America|July 27, 2004
Watching the photosynthetic apparatus in native membranesSimon Scheuring, James N Sturgis, Valerie Prima, et al.Nature Communications|September 30, 2018
An iris diaphragm mechanism to gate a cyclic nucleotide-gated ion channelArin Marchesi, Xiaolong Gao, Ricardo Adaixo, et al.Nature Communications|October 7, 2020
Millisecond dynamics of an unlabeled amino acid transporterTina R Matin, George R Heath, Gerard H M Huysmans, et al.Pageof 36