Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge (English)
- New search for: Klamt, Andreas
- New search for: Diedenhofen, Michael
- New search for: Klamt, Andreas
- New search for: Diedenhofen, Michael
In:
Journal of Computer-Aided Molecular Design
;
24
, 6-7
; 621-625
;
2010
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge
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Contributors:Klamt, Andreas ( author ) / Diedenhofen, Michael ( author )
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Published in:Journal of Computer-Aided Molecular Design ; 24, 6-7 ; 621-625
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Publisher:
- New search for: Springer Netherlands
- New search for: Springer Science + Business Media B.V
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Place of publication:Dordrecht [u.a.]
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Publication date:2010
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ISSN:
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ZDBID:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
- New search for: 42.00 / 44.40
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Keywords:
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Source:
Table of contents – Volume 24, Issue 6-7
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 473
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Overview of the perspectives devoted to tautomerism in molecular designMartin, Yvonne Connolly et al. | 2010
- 475
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Tautomerism in drug discoveryKatritzky, Alan R. / Hall, C. Dennis / El-Gendy, Bahaa El-Dien M. / Draghici, Bogdan et al. | 2010
- 485
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So you think you understand tautomerism?Sayle, Roger A. et al. | 2010
- 497
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Tautomerism in chemical information management systemsWarr, Wendy A. et al. | 2010
- 521
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Tautomerism in large databasesSitzmann, Markus / Ihlenfeldt, Wolf-Dietrich / Nicklaus, Marc C. et al. | 2010
- 553
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Warfarin: history, tautomerism and activityPorter, William R. et al. | 2010
- 575
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Annular tautomerism: experimental observations and quantum mechanics calculationsCruz-Cabeza, Aurora J. / Schreyer, Adrian / Pitt, William R. et al. | 2010
- 587
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The effects of tautomerism on the nature of molecules in the solid stateHenry, Rodger F. et al. | 2010
- 591
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Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solutionGreenwood, Jeremy R. / Calkins, David / Sullivan, Arron P. / Shelley, John C. et al. | 2010
- 605
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Tautomers and reference 3D-structures: the orphans of in silico drug designClark, Timothy et al. | 2010
- 613
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Tautomerism, Hammett σ, and QSARMartin, Yvonne Connolly et al. | 2010
- 617
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Tautomers and topomers: challenging the uncertainties of direct physicochemical modelingCramer, Richard D. et al. | 2010
- 621
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Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challengeKlamt, Andreas / Diedenhofen, Michael et al. | 2010
- 627
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Combinatorial–computational–chemoinformatics ($ C^{3} $) approach to finding and analyzing low-energy tautomersHaranczyk, Maciej / Gutowski, Maciej et al. | 2010