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Entries: 1-7  
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Combined similarity and QSPR virtual screening for guest molecules of ß-cyclodextrin
Authors: Steffen, Andreas; Karasz, Maximilian; Thiele, Carolin; Lengauer, Thomas; Kämper, Andreas; Wenz, Gerhard; Apostolakis, Joannis
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: New Journal of Chemistry
Volume: 31
Issue / Number: 11
Start Page: 1941
End Page: 1949
Document Type: Article
ID: 356569.0
Improved cyclodextrin-based receptors for camptothecin by inverse virtual screening
Authors: Steffen, Andreas; Thiele, Carolin; Tietze, Simon; Strassnig, Christian; Kämper, Andreas; Lengauer, Thomas; Wenz, Gerhard; Apostolakis, Joannis
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Chemistry
Volume: 13
Issue / Number: 24
Start Page: 6801
End Page: 6809
Document Type: Article
ID: 356568.0
On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes
Authors: Steffen, Andreas; Apostolakis, Joannis
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Chemistry Central Journal
Volume: 1
Start Page: Art.29.1
End Page: 11
Document Type: Article
ID: 428286.0
Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies
Authors: Kämper, Andreas; Apostolakis, Joannis; Rarey, Matthias; Marian, Christel M.; Lengauer, Thomas
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Journal of Chemical Information and Modeling
Volume: 46
Start Page: 903
End Page: 911
Document Type: Article
ID: 314450.0
Derivation of a scoring function for crystal structure prediction
Authors: Apostolakis, Joannis; Hofmann, D.; Lengauer, Thomas
Date of Publication (YYYY-MM-DD): 2001
Title of Journal: Acta Crystallographica
Volume: A57
Start Page: 442
End Page: 450
Document Type: Article
ID: 520881.0
Docking of Ligands into Artificial Receptors
Authors: Kämper, Andreas; Apostolakis, Joannis; Rarey, Matthias; Marian, Christel Maria; Lengauer, Thomas
Publisher: Poster at the Annual Meeting of the German CHemical Society, Würzburg, Germany
Date of Publication (YYYY-MM-DD): 2001
Document Type: Other
ID: 520883.0
Docking of Ligands into Artificial Receptors
Authors: Kämper, Andreas; Apostolakis, Joannis; Rarey, Matthias; Marian, Christel Maria; Lengauer, Thomas
Place of Publication: Heidelberg, Germany
Publisher: Arbeitsgemeinschaft Theoretische Chemie
Date of Publication (YYYY-MM-DD): 2001
Title of Proceedings: Electronically Excited Molecules: Structure and Dynamics, 37th Symposium for Theoretical Chemistry
Document Type: Conference-Paper
ID: 520886.0
Entries: 1-7  
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