GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers von Abraham, Mark James, Murtola, Teemu, Schulz, Roland, Páll, Szilárd, Smith, Jeremy C., Hess, Berk, Lindahl, Erik

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GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit von Pronk, Sander, Páll, Szilárd, Schulz, Roland, Larsson, Per, Bjelkmar, Pär, Apostolov, Rossen, Shirts, Michael R, Smith, Jeremy C, Kasson, Peter M, van der Spoel, David, Hess, Berk, Lindahl, Erik

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Modulation of a μ‑1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions von Brinkmeier, Alexander, Dalle, Kristian E, D’Amore, Lorenzo, Schulz, Roland A, Dechert, Sebastian, Demeshko, Serhiy, Swart, Marcel, Meyer, Franc

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Structurally Characterized μ‑1,2-Peroxo/Superoxo Dicopper(II) Pair von Brinkmeier, Alexander, Schulz, Roland A, Buchhorn, Moritz, Spyra, Can-Jerome, Dechert, Sebastian, Demeshko, Serhiy, Krewald, Vera, Meyer, Franc

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Common processes drive the thermochemical pretreatment of lignocellulosic biomass von Langan, Paul, Petridis, Loukas, O'Neill, Hugh M., Pingali, Sai Venkatesh, Foston, Marcus, Nishiyama, Yoshiharu, Schulz, Roland, Lindner, Benjamin, Hanson, B. Leif, Harton, Shane, Heller, William T., Urban, Volker, Evans, Barbara R., Gnanakaran, S., Ragauskas, Arthur J., Smith, Jeremy C., Davison, Brian H.

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From a P-Bridging Phosphaketene to μ-Phosphinidenide and μ-Diphosphaurea Units at a Dinickel Core von Schulz, Roland A, Karaca, Uhut S, Diefenbach, Martin, Werthmann, Niclas J A, Dechert, Sebastian, Hansmann, Max M, Holthausen, Max C, Meyer, Franc

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What Really Makes Secondary School Students “Want” to Study Physics? von Hadzigeorgiou, Yannis, Schulz, Roland

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Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer von Schulz, Roland, Lindner, Benjamin, Petridis, Loukas, Smith, Jeremy C

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Engaging Students in Science: The Potential Role of “Narrative Thinking” and “Romantic Understanding” von Hadzigeorgiou, Yannis, Schulz, Roland M.

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Mechanism of lignin inhibition of enzymatic biomass deconstruction von Vermaas, Josh V, Petridis, Loukas, Qi, Xianghong, Schulz, Roland, Lindner, Benjamin, Smith, Jeremy C

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Initial Recognition of a Cellodextrin Chain in the Cellulose-Binding Tunnel May Affect Cellobiohydrolase Directional Specificity von GhattyVenkataKrishna, Pavan K., Alekozai, Emal M., Beckham, Gregg T., Schulz, Roland, Crowley, Michael F., Uberbacher, Edward C., Cheng, Xiaolin

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Reforming Science Education: Part I. The Search for a Philosophy of Science Education von Schulz, Roland M.

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Reforming Science Education: Part II. Utilizing Kieran Egan’s Educational Metatheory von Schulz, Roland M.

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Simulation Analysis of the Temperature Dependence of Lignin Structure and Dynamics von Petridis, Loukas, Schulz, Roland, Smith, Jeremy C

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The Guinness Molecules for the Carbohydrate Formula von Altnöder, Jonas, Krüger, Kerstin, Borodin, Dmitriy, Reuter, Lennart, Rohleder, Darius, Hecker, Fabian, Schulz, Roland A., Nguyen, Xuan T., Preiß, Helen, Eckhoff, Marco, Levien, Marcel, Suhm, Martin A.

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Romanticism and Romantic Science: Their Contribution to Science Education von Hadzigeorgiou, Yannis, Schulz, Roland

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Lyotard, Postmodernism and Science Education: A Rejoinder To Zembylas von Schulz, Roland M.

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Solvent-Driven Preferential Association of Lignin with Regions of Crystalline Cellulose in Molecular Dynamics Simulation von Lindner, Benjamin, Petridis, Loukas, Schulz, Roland, Smith, Jeremy C

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Kaufentscheidungsprozesse des Konsumenten von Schulz, Roland

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Advances in the OpenCL Offload Support in GROMACS von Páll, Szilárd, Schulz, Roland

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