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Journal of the American Chemical Society|August 5, 2017
Resolving the Conformational Dynamics of DNA with Ångstrom Resolution by Pulsed Electron-Electron Double Resonance and Molecular DynamicsLukas S Stelzl, Nicole Erlenbach, Marcel Heinz, et al.Journal of Chemical Theory and Computation|May 31, 2023
Unwrapping NPT Simulations to Calculate Diffusion CoefficientsJakob Tómas Bullerjahn, Sören von Bülow, Maziar Heidari, et al.The Journal of Physical Chemistry. B|May 8, 2020
Quantifying Protein-Protein Interactions in Molecular SimulationsAlfredo Jost Lopez, Patrick K Quoika, Max Linke, et al.The Journal of Chemical Physics|October 23, 2017
Peptide dimerization-dissociation rates from replica exchange molecular dynamicsCathal T Leahy, Adam Kells, Gerhard Hummer, et al.The Journal of Physical Chemistry. B|November 5, 2010
Water in the polar and nonpolar cavities of the protein interleukin-1βHao Yin, Guogang Feng, G Marius Clore, et al.Proceedings of the National Academy of Sciences of the United States of America|August 26, 2025
STIM1 transmembrane helix dimerization captured by AI-guided transition path samplingFerdinand Horvath, Hendrik Jung, Herwig Grabmayr, et al.The Journal of Physical Chemistry. B|December 9, 2014
Linear energy relationships in ground state proton transfer and excited state proton-coupled electron transferAna P Gamiz-Hernandez, Artiom Magomedov, Gerhard Hummer, et al.ACS Nano|January 20, 2017
Carbon Nanotubes Mediate Fusion of Lipid VesiclesRamachandra M Bhaskara, Stephanie M Linker, Martin Vögele, et al.Journal of Biomolecular NMR|July 30, 2015
MERA: a webserver for evaluating backbone torsion angle distributions in dynamic and disordered proteins from NMR dataAlexey B Mantsyzov, Yang Shen, Jung Ho Lee, et al.Plos Computational Biology|October 25, 2017
Scaffolding the cup-shaped double membrane in autophagyAmir Houshang Bahrami, Mary G Lin, Xuefeng Ren, et al.Pageof 32