Umbrella Refinement of Ensembles—An Alternative View of Ensemble Optimization by Johannes Stöckelmaier, Tümay Capraz, Chris Oostenbrink

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Exploring the binding pathways of the 14-3-3ζ protein: Structural and free-energy profiles revealed by Hamiltonian replica exchange molecular dynamics with distancefield distance r... by Gabor Nagy, Chris Oostenbrink, Jozef Hritz

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A systematic framework for molecular dynamics simulations of protein post-translational modifications. by Drazen Petrov, Christian Margreitter, Melanie Grandits, Chris Oostenbrink, Bojan Zagrovic

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Pyranose dehydrogenase ligand promiscuity: a generalized approach to simulate monosaccharide solvation, binding, and product formation. by Michael M H Graf, Lin Zhixiong, Urban Bren, Dietmar Haltrich, Wilfred F van Gunsteren, Chris Oostenbrink

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Insights into structure and activity of a UDP-GlcNAc 2-epimerase involved in secondary cell wall polymer biosynthesis in Paenibacillus alvei by Cordula Stefanović, Max S. G. Legg, Nick Mateyko, Jakob J. Ender, Tea Kuvek, Chris Oostenbrink, Christina Schäffer, Stephen V. Evans, Fiona F. Hager-Mair

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Clinical grade ACE2 as a universal agent to block SARS‐CoV‐2 variants by Vanessa Monteil, Brett Eaton, Elena Postnikova, Michael Murphy, Benedict Braunsfeld, Ian Crozier, Franz Kricek, Janine Niederhöfer, Alice Schwarzböck, Helene Breid, Stephanie Devignot, Jonas Klingström, Charlotte Thålin, Max J Kellner, Wanda Christ, Sebastian Havervall, Stefan Mereiter, Sylvia Knapp, Anna Sanchez Jimenez, Agnes Bugajska‐Schretter, Alexander Dohnal, Christine Ruf, Romana Gugenberger, Astrid Hagelkruys, Nuria Montserrat, Ivona Kozieradzki, Omar Hasan Ali, Johannes Stadlmann, Michael R Holbrook, Connie Schmaljohn, Chris Oostenbrink, Robert H Shoemaker, Ali Mirazimi, Gerald Wirnsberger, Josef M Penninger

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