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Journal Articles
- 2024
[j12]Viktor Szél, Balázs Zoltán Zsidó
, Csaba Hetényi:
Enthalpic Classification of Water Molecules in Target-Ligand Binding. J. Chem. Inf. Model. 64(16): 6583-6595 (2024)- [j11]Tibor Viktor Szalai, Dávid Bajusz, Rita Börzsei, Balázs Zoltán Zsidó, Janez Ilas, György G. Ferenczy, Csaba Hetényi, György M. Keserü:
Effect of Water Networks On Ligand Binding: Computational Predictions vs Experiments. J. Chem. Inf. Model. 64(23): 8980-8998 (2024) - 2021
- [j10]Balázs Zoltán Zsidó, Rita Börzsei, Viktor Szél, Csaba Hetényi:
Determination of Ligand Binding Modes in Hydrated Viral Ion Channels to Foster Drug Design and Repositioning. J. Chem. Inf. Model. 61(8): 4011-4022 (2021) - 2017
- [j9]Mónika Bálint, Norbert Jeszenoi, István Horváth, David van der Spoel, Csaba Hetényi:
Systematic exploration of multiple drug binding sites. J. Cheminformatics 9(1): 65:1-65:12 (2017) - 2016
- [j8]Norbert Jeszenoi, Mónika Bálint, István Horváth, David van der Spoel, Csaba Hetényi:
Exploration of Interfacial Hydration Networks of Target-Ligand Complexes. J. Chem. Inf. Model. 56(1): 148-158 (2016) - 2015
- [j7]Norbert Jeszenoi, István Horváth, Mónika Bálint, David van der Spoel, Csaba Hetényi:
Mobility-based prediction of hydration structures of protein surfaces. Bioinform. 31(12): 1959-1965 (2015) - 2012
- [j6]Zoltán Simon, Ágnes Peragovics, Margit Vigh-Smeller, Gábor Csukly, László Tombor, Zhenhui Yang, Gergely Zahoránszky-Köhalmi, László Végner, Balázs Jelinek, Péter Hári, Csaba Hetényi, István Bitter, Pál Czobor, András Málnási-Csizmadia:
Drug Effect Prediction by Polypharmacology-Based Interaction Profiling. J. Chem. Inf. Model. 52(1): 134-145 (2012) - [j5]Ágnes Peragovics, Zoltán Simon, Ildikó Brandhuber, Balázs Jelinek, Péter Hári, Csaba Hetényi, Pál Czobor, András Málnási-Csizmadia:
Contribution of 2D and 3D Structural Features of Drug Molecules in the Prediction of Drug Profile Matching. J. Chem. Inf. Model. 52(7): 1733-1744 (2012) - [j4]Alfonso T. García-Sosa, Mare Oja, Csaba Hetényi, Uko Maran:
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties. J. Chem. Inf. Model. 52(8): 2165-2180 (2012) - 2010
- [j3]Alfonso T. García-Sosa, Csaba Hetényi, Uko Maran:
Drug efficiency indices for improvement of molecular docking scoring functions. J. Comput. Chem. 31(1): 174-184 (2010) - 2007
- [j2]Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson:
Structure-based calculation of drug efficiency indices. Bioinform. 23(20): 2678-2685 (2007) - 2003
- [j1]Csaba Hetényi, Uko Maran, Mati Karelson:
A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins. J. Chem. Inf. Comput. Sci. 43(5): 1576-1583 (2003)
Coauthor Index
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