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List of works by György G Ferenczy

A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands.

scientific article

A detailed mechanism of the oxidative half-reaction of d-amino acid oxidase: another route for flavin oxidation

scientific article published on 01 August 2019

A road map for prioritizing warheads for cysteine targeting covalent inhibitors

scientific article published on 06 October 2018

Allosteric activation of metabotropic glutamate receptor 5

scientific article published on 17 July 2019

Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery

scientific article published on December 2016

Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. Part I. Application of the Huzinaga equation.

scientific article

Catalytic Mechanism and Covalent Inhibition of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA): Implications to the Design of Novel Antibacterials

scientific article published on 26 November 2019

Comparative Evaluation of Covalent Docking Tools

scientific article published on 22 June 2018

Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia.

scientific article

Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening.

scientific article published on 31 December 2015

Discovery of d-amino acid oxidase inhibitors based on virtual screening against the lid-open enzyme conformation

scientific article published on 20 April 2018

Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors

scientific article published on 08 February 2018

Drug discovery strategies and the preclinical development of D-amino-acid oxidase inhibitors as antipsychotic therapies

scientific article published on 22 September 2018

Ensemble docking-based virtual screening yields novel spirocyclic JAK1 inhibitors

scientific article published on 17 October 2016

Enthalpic Efficiency of Ligand Binding ⬇️

scientific article published on September 27, 2010

Erratum to: A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands

scientific article published on 01 January 2015

Estimation of impurity profiles of drugs and related materials. 12. Isolation and identification of an isomeric impurity in danazol

scientific article published on 01 February 1995

Force generation by titin folding.

scientific article published on 18 January 2017

How are fragments optimized? A retrospective analysis of 145 fragment optimizations

scientific article published on 11 March 2013

I. Discovery of a novel series of CXCR3 antagonists. Multiparametric optimization of N,N-disubstituted benzylamines.

scientific article published on 15 October 2016

II. Discovery of a novel series of CXCR3 antagonists with a beta amino acid core

scientific article published on 15 October 2016

Inhibitors of lipid peroxidation among new pyrimido[1',6':1,2]pyrido[3,4-b]indoles

scientific article published on 01 November 1994

Optical Trapping Nanometry of Hypermethylated CPG-Island DNA.

scientific article published on 18 January 2017

Prediction of carcinogenicity from molecular structure; modification and reinvestigation of the method

scientific article published on 01 June 1994

Prolyl oligopeptidase inhibition by N-acyl-pro-pyrrolidine-type molecules

scientific article

Structure Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray structures.

scientific article published on 18 February 2018

Structure-Based Consensus Scoring Scheme for Selecting Class A Aminergic GPCR Fragments

scientific article published on 13 January 2016

Structure-based Virtual Screening Approaches in Kinase-directed Drug Discovery.

scientific article published on 24 February 2017

Synthesis and Biochemical Evaluation of Lid-Open D-Amino Acid Oxidase Inhibitors

scientific article published on 14 January 2019

The active site of cytochrome P-450 nifedipine oxidase: a model-building study

article

The impact of binding thermodynamics on medicinal chemistry optimizations.

scientific article published on July 2015

Thermodynamic profiling for fragment-based lead discovery and optimization

scientific article published on 19 November 2019

Thermodynamics guided lead discovery and optimization.

scientific article published on 27 August 2010

Thermodynamics of Fragment Binding ⬇️

scientific article published on April 9, 2012

Toward a consistent treatment of polarization in model QM/MM calculations.

scientific article

Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of D-amino acid oxidase inhibitors

scientific article published on 15 January 2018

[Structure-based drug design]

scientific article published on 01 January 1998

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