Csaba Hetényi

According to our database, Csaba Hetényi authored at least 11 papers between 2003 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Enthalpic Classification of Water Molecules in Target-Ligand Binding.

Viktor Szél, Balázs Zoltán Zsidó, Csaba Hetényi

J. Chem. Inf. Model., 2024

2021

Determination of Ligand Binding Modes in Hydrated Viral Ion Channels to Foster Drug Design and Repositioning.

Balázs Zoltán Zsidó, Rita Börzsei, Viktor Szél, Csaba Hetényi

J. Chem. Inf. Model., 2021

2017

Systematic exploration of multiple drug binding sites.

Mónika Bálint, Norbert Jeszenoi, István Horváth, David van der Spoel, Csaba Hetényi

J. Cheminformatics, 2017

2016

Exploration of Interfacial Hydration Networks of Target-Ligand Complexes.

Norbert Jeszenoi, Mónika Bálint, István Horváth, David van der Spoel, Csaba Hetényi

J. Chem. Inf. Model., 2016

2015

Mobility-based prediction of hydration structures of protein surfaces.

Norbert Jeszenoi, István Horváth, Mónika Bálint, David van der Spoel, Csaba Hetényi

Bioinform., 2015

2012

Drug Effect Prediction by Polypharmacology-Based Interaction Profiling.

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

J. Chem. Inf. Model., 2012

Contribution of 2D and 3D Structural Features of Drug Molecules in the Prediction of Drug Profile Matching.

Ágnes Peragovics, Zoltán Simon, Ildikó Brandhuber, Balázs Jelinek, Péter Hári, Csaba Hetényi, Pál Czobor, András Málnási-Csizmadia

J. Chem. Inf. Model., 2012

DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties.

Alfonso T. García-Sosa, Mare Oja, Csaba Hetényi, Uko Maran

J. Chem. Inf. Model., 2012

2010

Drug efficiency indices for improvement of molecular docking scoring functions.

Alfonso T. García-Sosa, Csaba Hetényi, Uko Maran

J. Comput. Chem., 2010

2007

Structure-based calculation of drug efficiency indices.

Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson

Bioinform., 2007

2003

A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.

Csaba Hetényi, Uko Maran, Mati Karelson

J. Chem. Inf. Comput. Sci., 2003