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Beccaria, Riccardo: Predicting the binding of small molecules to proteins through invariant representation of the molecular structure / R. Beccaria, A. Lazzeri, and G. Tiana, September 9, 2024. - 10 S. : Illustrationen
In: Journal of chemical information and modeling, ISSN 1549-960X. 64(2024), 17 vom: Sept., Seite 6758-6767
DOI: 10.1021/acs.jcim.4c00752
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Nunes-Alves, Ariane: Prediction of the drug-target binding kinetics for flexible proteins by comparative binding energy analysis / Ariane Nunes-Alves, Fabian Ormersbach, and Rebecca C. Wade, July 1, 2021. - 14 S.
In: Journal of chemical information and modeling, ISSN 1549-960X. 61(2021), 7, Seite 3708-3721
DOI: 10.1021/acs.jcim.1c00639
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Yuan, Jui-Hung: Druggability assessment in TRAPP using machine learning approaches / Jui-Hung Yuan, Sungho Bosco Han, Stefan Richter, Rebecca C. Wade and Daria B. Kokh, 27 February 2020. - 15 S.
In: Journal of chemical information and modeling, ISSN 1549-960X. 60(2020), 3, Seite 1685-1699
DOI: 10.1021/acs.jcim.9b01185
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Bruce, Neil J.: KBbox : a toolbox of computational methods for studying the kinetics of molecular binding / Neil J. Bruce, Gaurav K. Ganotra, Stefan Richter, and Rebecca C. Wade, 5 August 2019. - 5 S.
In: Journal of chemical information and modeling, ISSN 1549-960X. 59(2019), 9, Seite 3630-3634
DOI: 10.1021/acs.jcim.9b00485
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Felline, Angelo: Interconnecting flexibility, structural communication, and function in RhoGEF oncoproteins / Angelo Felline, Luca Belmonte, Francesco Raimondi, Luca Bellucci, Francesca Fanelli, September 6, 2019. - 14 S.
In: Journal of chemical information and modeling, ISSN 1549-960X. 59(2019), 10, Seite 4300-4313
DOI: 10.1021/acs.jcim.9b00271
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Wagner, Arne: aRMSD : a comprehensive tool for structural analysis / Arne Wagner and Hans-Jörg Himmel. - 11 S.
In: Journal of chemical information and modeling, ISSN 1549-960X. 57(2017), 3, S. 428-438
DOI: 10.1021/acs.jcim.6b00516
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Codutti, Luca: Structure-based design of scaffolds targeting PDE10A by INPHARMA-NMR / Luca Codutti, Manuela Grimaldi, Teresa Carlomagno, 26 June 2017. - 11 S.
In: Journal of chemical information and modeling, ISSN 1549-960X. 57(2017), 6, Seite 1488-1498
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Sharma, Rajni K.: The dynamic nonprime binding of sampatrilat to the C-domain of angiotensin-converting enzyme / Rajni K. Sharma, Marlene Espinoza-Moraga, Horacio Poblete, Ross G. Douglas, Edward D. Sturrock, Juli… , November 29, 2016. - 9 S.
In: Journal of chemical information and modeling, ISSN 1549-960X. 56(2016), 12, Seite 2486-2494
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Kokh, Daria B.: TRAPP : a tool for analysis of Transient binding Pockets in Proteins / Daria B. Kokh, Stefan Richter, Stefan Henrich, Paul Czodrowski, Friedrich Rippmann, and Rebecca C. W… , April 27, 2013. - 18 S.
In: Journal of chemical information and modeling, ISSN 1549-960X. 53(2013), 5, Seite 1235-1252
DOI: 10.1021/ci4000294
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Dreisigacker, Sandra: Understanding the inhibitory effect of highly potent and selective archazolides binding to the vacuolar ATPase / Sandra Dreisigacker, Dorota Latek, Svenja Bockelmann, Markus Huss, Helmut Wieczorek, Slawomir Filipe… , 27 August 2012. - 8 S.
In: Journal of chemical information and modeling, ISSN 1549-960X. 52(2012), 8, Seite 2265-2272
DOI: 10.1021/ci300242d
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Rathke, Fabian: StructRank : a new approach for ligand-based virtual screening / Fabian Rathke, Katja Hansen, Ulf Brefeld, and Klaus-Robert Müller, 2011. - 10 S.
In: Journal of chemical information and modeling, ISSN 1549-960X. 51(2011), 1, Seite 83-92
DOI: 10.1021/ci100308f
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