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Journal of Chemical Theory and Computation|October 24, 2017
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased SimulationsLukas S Stelzl, Adam Kells, Edina Rosta, et al.The Journal of Physical Chemistry Letters|September 14, 2018
Precision DEER Distances from Spin-Label Ensemble RefinementKatrin Reichel, Lukas S Stelzl, Jürgen Köfinger, et al.Plos Computational Biology|October 25, 2012
Membrane-elasticity model of Coatless vesicle budding induced by ESCRT complexesBartosz Różycki, Evzen Boura, James H Hurley, et al.Proceedings of the National Academy of Sciences of the United States of America|May 1, 2019
Dynamic cluster formation determines viscosity and diffusion in dense protein solutionsSören von Bülow, Marc Siggel, Max Linke, et al.Journal of Medicinal Chemistry|April 15, 2005
Differential inhibition of HIV-1 and SIV envelope-mediated cell fusion by C34 peptides derived from the C-terminal heptad repeat of gp41 from diverse strains of HIV-1, HIV-2, and SIVElena Gustchina, Gerhard Hummer, Carole A Bewley, et al.Proceedings of the National Academy of Sciences of the United States of America|August 30, 2008
Replica exchange simulations of transient encounter complexes in protein-protein associationYoung C Kim, Chun Tang, G Marius Clore, et al.Journal of Chemical Theory and Computation|December 14, 2020
Simulation of FUS Protein Condensates with an Adapted Coarse-Grained ModelZakarya Benayad, Sören von Bülow, Lukas S Stelzl, et al.The Journal of Chemical Physics|October 22, 2020
MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulationsMichael Gecht, Marc Siggel, Max Linke, et al.Chemical Communications (Cambridge, England)|September 29, 2018
Analysis and engineering of substrate shuttling by the acyl carrier protein (ACP) in fatty acid synthases (FASs)Emanuele Rossini, Jan Gajewski, Maja Klaus, et al.Journal of Computational Chemistry|May 23, 2009
Artificial reaction coordinate "tunneling" in free-energy calculations: the catalytic reaction of RNase HEdina Rosta, H Lee Woodcock, Bernard R Brooks, et al.Pageof 32