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Steinbeck, Christoph (10)
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2019
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2020
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Westfälisches Institut für Gesundheit (10)
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A molecular fragment cheminformatics roadmap for mesoscopic simulation
(2014)
Truszkowski, Andreas
;
Daniel, Mirco
;
Kuhn, Hubert
;
Neumann, Stefan
;
Steinbeck, Christoph
;
Zielesny, Achim
;
Epple, Matthias
A new Approach to DPD Repulsion Parameter Estimation
(2020)
Bänsch, Felix
;
Daniel, Mirco
;
Lanig, Harald
;
Steinbeck, Christoph
;
Zielesny, Achim
CDK-Taverna: an open workflow environment for cheminformatics
(2010)
Kuhn, Thomas
;
Willighagen, Egon L.
;
Zielesny, Achim
;
Steinbeck, Christoph
Creating chemo- & bioinformatics workflows, further developments within the CDK-Taverna Project
(2008)
Kuhn, Thomas
;
Zielesny, Achim
;
Steinbeck, Christoph
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)
(2019)
Fritsch, Sebastian
;
Neumann, Stefan
;
Schaub, Jonas
;
Steinbeck, Christoph
;
Zielesny, Achim
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)
(2019)
Schaub, Jonas
;
Fritsch, Sebastian
;
Neumann, Stefan
;
Steinbeck, Christoph
;
Zielesny, Achim
Molecular fragments chemoinformatics
(2009)
Kuhn, Hubert
;
Neumann, Stefan
;
Steinbeck, Christoph
;
Wittekindt, Carsten
;
Zielesny, Achim
New developments on the cheminformatics open workflow environment CDK-Taverna
(2011)
Truszkowski, Andreas
;
Jayaseelan, Kalai Vanii
;
Neumann, Stefan
;
Willighagen, Egon L.
;
Zielesny, Achim
;
Steinbeck, Christoph
Rule-based in-silico Fragmentation for the Analysis of Natural Product Chemical Space
(2020)
Schaub, Jonas
;
Bänsch, Felix
;
Zielesny, Achim
;
Steinbeck, Christoph
Towards a comprehensive open computational support cycle for Molecular Fragment Dissipative Particle Dynamics (DPD)
(2019)
Bänsch, Felix
;
Steinbeck, Christoph
;
Zielesny, Achim
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