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List of works by Csaba Hetényi

A comprehensive docking study on the selectivity of binding of aromatic compounds to proteins

scientific article published on September 2003

A new easy-to-prepare homogeneous continuous electrochromatographic bed for enantiomer recognition

scientific article published on September 2000

Alternatively spliced exon B of myosin Va is essential for binding the tail-associated light chain shared by dynein

scientific article published on October 2006

Combination of a modified scoring function with two-dimensional descriptors for calculation of binding affinities of bulky, flexible ligands to proteins

scientific article published in February 2006

Conformational Dynamics of Titin PEVK Explored with FRET Spectroscopy ⬇️

scientific article published on October 2, 2012

Contribution of 2D and 3D structural features of drug molecules in the prediction of Drug Profile Matching.

scientific article

Cooperative Binding of Cyclodextrin Dimers to Isoflavone Analogues Elucidated by Free Energy Calculations

scientific article published on 14 March 2014

DYNLL2 dynein light chain binds to an extended linear motif of myosin 5a tail that has structural plasticity

scientific article

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

scientific article published on 27 July 2021

Disease-Specific Differentiation Between Drugs and Non-Drugs Using Principal Component Analysis of Their Molecular Descriptor Space.

scientific article

Drug effect prediction by polypharmacology-based interaction profiling

scientific article

Drug efficiency indices for improvement of molecular docking scoring functions.

scientific article

DrugLogit: logistic discrimination between drugs and nondrugs including disease-specificity by assigning probabilities based on molecular properties.

scientific article published on 7 August 2012

Dynamic changes in binding interaction networks of sex steroids establish their non-classical effects

scientific article published in November 2017

Extended intermolecular interactions in a serine protease-canonical inhibitor complex account for strong and highly specific inhibition.

scientific article published on July 2005

In vitro model of neurotoxicity of Abeta 1-42 and neuroprotection by a pentapeptide: irreversible events during the first hour

scientific article

Incorporation of Oxidized Phenylalanine Derivatives into Insulin Signaling Relevant Proteins May Link Oxidative Stress to Signaling Conditions Underlying Chronic Insulin Resistance

scientific article published on 22 April 2022

Inhibitory Effects of Quercetin and Its Human and Microbial Metabolites on Xanthine Oxidase Enzyme

scientific article published on 31 May 2019

Interaction of Citrinin with Human Serum Albumin

scientific article

Mapping of possible binding sequences of two beta-sheet breaker peptides on beta amyloid peptide of Alzheimer's disease

scientific article published on 01 May 2002

Mechanism of blebbistatin inhibition of myosin II

scientific article

Mobility-based prediction of hydration structures of protein surfaces

scientific article

Molecular Property Filters Describing Pharmacokinetics and Drug Binding ⬇️

scientific article published on January 1, 2012

Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome

scientific article published on 10 June 2020

Myosin cleft closure determines the energetics of the actomyosin interaction

scientific article

Pentapeptide amides interfere with the aggregation of beta-amyloid peptide of Alzheimer's disease.

scientific article

Pseudouridylation of 23S rRNA helix 69 promotes peptide release by release factor RF2 but not by release factor RF1

scientific article published on 31 January 2011

Quantification of Solvent Contribution to the Stability of Noncovalent Complexes.

scientific article published on 19 September 2013

Ribosomal intersubunit bridge B2a is involved in factor-dependent translation initiation and translational processivity

scientific article

Selective perturbation of the myosin recovery stroke by point mutations at the base of the lever arm affects ATP hydrolysis and phosphate release

scientific article published on 21 April 2007

Structural Evidence for Non-canonical Binding of Ca2+to a Canonical EF-hand of a Conventional Myosin

scientific article published in Journal of Biological Chemistry

Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex.

scientific article

Structure-based calculation of binding affinities of alpha 2A-adrenoceptor agonists

scientific article published on 01 June 2007

Structure-based calculation of drug efficiency indices.

scientific article published on 5 September 2007

Synthesis of Spin-Labelled Bergamottin: A Potent CYP3A4 Inhibitor with Antiproliferative Activity

scientific article published on 13 January 2020

Systematic exploration of multiple drug binding sites

scientific article

The Structure of an NDR/LATS Kinase-Mob Complex Reveals a Novel Kinase-Coactivator System and Substrate Docking Mechanism

scientific article published on 12 May 2015

The autoimmune regulator PHD finger binds to non-methylated histone H3K4 to activate gene expression

scientific article published in April 2008

Toward prediction of functional protein pockets using blind docking and pocket search algorithms ⬇️

scientific article published on March 30, 2011

Towards Unraveling the Histone Code by Fragment Blind Docking

scientific article published on 19 January 2019

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