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H-BRS Bibliography
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Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE)
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Article (6)
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2018
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2016
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2011
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2008
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(5)
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Molecular dynamics (6)
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Computer simulations suggest direct and stable tip to tip interaction between the outer membrane channel TolC and the isolated docking domain of the multidrug RND efflux transporter AcrB
(2016)
Schmidt, Thomas H.
;
Raunest, Martin
;
Fischer, Nadine
;
Reith, Dirk
;
Kandt, Christian
Economic simplex optimization for broad range property prediction: Strengths and weaknesses of an automated approach for tailoring of parameters
(2008)
Müller, Thomas J.
;
Roy, Sudip
;
Zhao, Wei
;
Maaß, Astrid
;
Reith, Dirk
ESPResSo++: A modern multiscale simulation package for soft matter systems
(2013)
Halverson, Jonathan D.
;
Brandes, Thomas
;
Lenz, Olaf
;
Arnold, Axel
;
Bevc, Staš
;
Starchenko, Vitaliy
;
Kremer, Kurt
;
Stuehn, Torsten
;
Reith, Dirk
Molecular dynamics simulation of interfaces and surfaces in structures derived from α‐quartz‐ and ZSM-5 crystallites
(2011)
Brinkmann, A.
;
Langer, F.
;
Scholler, F.
;
Shan, Z.
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Wilmers, J.
;
Zhao, Y.
;
Oligschleger, C.
SkaSim - Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie
(2018)
Vrabec, Jadran
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Bernreuther, Martin
;
Bungartz, Hans-Joachim
;
Chen, Wei-Lin
;
Cordes, Wilfried
;
Fingerhut, Robin
;
Glass, Colin W.
;
Gmehling, Jürgen
;
Hamburger, René
;
Heilig, Manfred
;
Heinen, Matthias
;
Horsch, Martin T.
;
Hsieh, Chieh-Ming
;
Hülsmann, Marco
;
Jäger, Philip
;
Klein, Peter
;
Knauer, Sandra
;
Köddermann, Thorsten
;
Köster, Andreas
;
Langenbach, Kai
;
Lin, Shiang-Tai
;
Neumann, Philipp
;
Rarey, Jürgen
;
Reith, Dirk
;
Rutkai, Gábor
;
Schappals, Michael
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Schenk, Martin R.
;
Schedemann, Andre
;
Schönherr, Mandes
;
Seckler, Steffen
;
Stephan, Simon
;
Stöbener, Katrin
;
Tchipev, Nikola
;
Wafai, Amer
;
Werth, Stephan
;
Hasse, Hans
Structure and thermodynamics of H3O+(H2O)8 clusters: A combined molecular dynamics and quantum mechanics approach
(2013)
Temelso, Berhane
;
Köddermann, Thorsten
;
Kirschner, Karl N.
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Klein, Katurah
;
Shields, George C.
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