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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.Physical Review Letters|June 4, 2008
Layering and position-dependent diffusive dynamics of confined fluidsJeetain Mittal, Thomas M Truskett, Jeffrey R Errington, et al.Molecular Cell|October 29, 2021
Structural basis of polyamine transport by human ATP13A2 (PARK9)Sue Im Sim, Sören von Bülow, Gerhard Hummer, et al.Structure (London, England : 1993)|February 26, 2019
Structure of Outward-Facing PglK and Molecular Dynamics of Lipid-Linked Oligosaccharide Recognition and TranslocationCamilo Perez, Ahmad Reza Mehdipour, Gerhard Hummer, et al.The Journal of Physical Chemistry. B|February 7, 2008
Pulling direction as a reaction coordinate for the mechanical unfolding of single moleculesRobert B Best, Emanuele Paci, Gerhard Hummer, et al.The Journal of Chemical Physics|November 8, 2022
TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranesMarc Siggel, Sebastian Kehl, Klaus Reuter, et al.Biochimica Et Biophysica Acta|April 22, 2008
Prevention of leak in the proton pump of cytochrome c oxidaseVille R I Kaila, Michael Verkhovsky, Gerhard Hummer, et al.Journal of Chemical Theory and Computation|May 10, 2017
Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through MembranesAn Ghysels, Richard M Venable, Richard W Pastor, et al.The Journal of Chemical Physics|October 24, 2019
Molecular free energy profiles from force spectroscopy experiments by inversion of observed committorsRoberto Covino, Michael T Woodside, Gerhard Hummer, et al.Pageof 34