Csaba Hetényi

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2024 J jnl
Effect of Water Networks On Ligand Binding: Computational Predictions vs Experiments.
J. Chem. Inf. Model.
Tibor Viktor Szalai, Dávid Bajusz, Rita Börzsei, Balázs Zoltán Zsidó, Janez Ilas, György G. Ferenczy, Csaba Hetényi, György M. Keserü
2024 J jnl
Enthalpic Classification of Water Molecules in Target-Ligand Binding.
J. Chem. Inf. Model.
Viktor Szél, Balázs Zoltán Zsidó, Csaba Hetényi
2021 J jnl
Determination of Ligand Binding Modes in Hydrated Viral Ion Channels to Foster Drug Design and Repositioning.
J. Chem. Inf. Model.
Balázs Zoltán Zsidó, Rita Börzsei, Viktor Szél, Csaba Hetényi
2017 J jnl
Systematic exploration of multiple drug binding sites.
J. Cheminformatics
Mónika Bálint, Norbert Jeszenoi, István Horváth, David van der Spoel, Csaba Hetényi
2016 J jnl
Exploration of Interfacial Hydration Networks of Target-Ligand Complexes.
J. Chem. Inf. Model.
Norbert Jeszenoi, Mónika Bálint, István Horváth, David van der Spoel, Csaba Hetényi
2015 J jnl
Mobility-based prediction of hydration structures of protein surfaces.
Bioinform.
Norbert Jeszenoi, István Horváth, Mónika Bálint, David van der Spoel, Csaba Hetényi
2012 J jnl
Contribution of 2D and 3D Structural Features of Drug Molecules in the Prediction of Drug Profile Matching.
J. Chem. Inf. Model.
Ágnes Peragovics, Zoltán Simon, Ildikó Brandhuber, Balázs Jelinek, Péter Hári, Csaba Hetényi, Pál Czobor, András Málnási-Csizmadia
2012 J jnl
Drug Effect Prediction by Polypharmacology-Based Interaction Profiling.
J. Chem. Inf. Model.
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
2012 J jnl
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties.
J. Chem. Inf. Model.
Alfonso T. García-Sosa, Mare Oja, Csaba Hetényi, Uko Maran
2010 J jnl
Drug efficiency indices for improvement of molecular docking scoring functions.
J. Comput. Chem.
Alfonso T. García-Sosa, Csaba Hetényi, Uko Maran
2007 J jnl
Structure-based calculation of drug efficiency indices.
Bioinform.
Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson
2003 J jnl
A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.
J. Chem. Inf. Comput. Sci.
Csaba Hetényi, Uko Maran, Mati Karelson