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Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculations

J. Dieterich, H. Werner, R. Mata, S. Metz, and W. Thiel. J. Chem. Phys., 132 (3): 035101 (January 2010)
DOI: 10.1063/1.3280164

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Sonja Dieterich University of Stuttgart

Johannes Keller University of Stuttgart

Faserseile – neue Methoden der AblegereifeerkennungJ. Keller, F. Stegmaier, and S. Hecht. 31. Internationale Kranfachtagung 2023 - Digitalisierung, Innovation, Produktsicherheit, 31, page 89-98. Arbeitsgruppe Baumaschinen- und Fördertechnik, Ruhr-Universität Bochum, Selbstverlag der Ruhr-Universität Bochum, (May 2023)Investigation of new criteria for discard detection of fibre ropes for safe operationF. Stegmaier, J. Keller, and R. Schulz. Proceedings of OIPEEC Conference 2024, page 83-99. Organisation Internationale pour l'Etude des Cables (OIPEEC), (April 2024)New ways of evaluation of damage to wire ropes by combining different non-destructive rope testing methodsR. Eisinger, J. Görres, J. Keller, J. Guter, and R. Schulz. Proceedings of OIPEEC Conference 2024, page 151-164. Organisation Internationale pour l'Etude des Cables (OIPEEC), (April 2024)

Other publications of authors with the same name

Empirical review of standard benchmark functions using evolutionary global optimizationJ. Dieterich, and B. Hartke. CoRR, (2012)A graph-based short-cut to low-energy structures.J. Dieterich, and B. Hartke. Journal of Computational Chemistry, 35 (22): 1618-1620 (2014)Atomdroid: A Computational Chemistry Tool for Mobile Platforms.J. Feldt, R. Mata, and J. Dieterich. Journal of Chemical Information and Modeling, 52 (4): 1072-1078 (2012)Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculationsJ. Dieterich, H. Werner, R. Mata, S. Metz, and W. Thiel. J. Chem. Phys., 132 (3): 035101 (January 2010)Composition-induced structural transitions in mixed Lennard-Jones clusters: Global reparametrization and optimization.J. Dieterich, and B. Hartke. Journal of Computational Chemistry, 32 (7): 1377-1385 (2011)libKEDF: An accelerated library of kinetic energy density functionals.J. Dieterich, W. Witt, and E. Carter. Journal of Computational Chemistry, 38 (17): 1552-1559 (2017)Computation of Induced Dipoles in Molecular Mechanics Simulations Using Graphics Processors.F. Pratas, L. Sousa, J. Dieterich, and R. Mata. Journal of Chemical Information and Modeling, 52 (5): 1159-1166 (2012)Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations.M. Chen, J. Xia, C. Huang, J. Dieterich, L. Hung, I. Shin, and E. Carter. Comput. Phys. Commun., (2015)Adaptive parallelism with RMI: Idle high-performance computing resources can be completely avoided.F. Spenke, K. Balzer, S. Frick, B. Hartke, and J. Dieterich. CoRR, (2018)Exploring self-organization of molecular tether molecules on a gold surface by global structure optimization.A. Freibert, J. Dieterich, and B. Hartke. Journal of Computational Chemistry, 40 (22): 1978-1989 (2019)

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Disambiguation of "Dieterich, Johannes M."

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Sonja Dieterich University of Stuttgart

M. Fittingho

Johannes Schorr University of Stuttgart

Johannes Görres University of Stuttgart

Johannes Keller University of Stuttgart

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PUMA

Disambiguation of "Dieterich, Johannes M."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculations

Please choose a person to relate this publication to

Sonja Dieterich University of Stuttgart

M. Fittingho

Johannes Schorr University of Stuttgart

Johannes Görres University of Stuttgart

Johannes Keller University of Stuttgart

Other publications of authors with the same name

Disambiguation