List of works by Paul Czodrowski

2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.

scientific article published on 28 March 2016

A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.

scientific article

Applications of machine learning in drug discovery and development.

scientific article

Atypical protonation states in the active site of HIV-1 protease: a computational study

scientific article published on 16 May 2007

Binding Pose Flip Explained via Enthalpic and Entropic Contributions.

scientific article published on 12 January 2017

Blind, one-eyed, or eagle-eyed? pKa calculations during blind predictions with staphylococcal nuclease.

scientific article published on 23 August 2011

Chasing protons: how isothermal titration calorimetry, mutagenesis, and pKa calculations trace the locus of charge in ligand binding to a tRNA-binding enzyme

scientific article

Computational approaches to predict drug metabolism

scientific article published on 01 January 2009

Count on kappa

scientific article published on 11 July 2014

Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein-ligand complexes

scientific article published on November 2006

Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19

scientific article

Discovery of potent and selective CDK8 inhibitors from an HSP90 pharmacophore

scientific article published on 22 January 2016

Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects

scientific article published on 27 January 2020

Light-Activatable TET-Dioxygenases Reveal Dynamics of 5-Methylcytosine Oxidation and Transcriptome Reorganization

scientific article published on 14 April 2020

LigpKa – a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations.

scientific article published on 19 April 2011

Machine learning meets pK a

scientific article published on 13 February 2020

OCEAN: Optimized Cross rEActivity estimatioN.

scientific article

Perturbation Approaches for Exploring Protein Binding Site Flexibility to Predict Transient Binding Pockets.

scientific article published on 11 July 2016

Protonation changes upon ligand binding to trypsin and thrombin: structural interpretation based on pK(a) calculations and ITC experiments

scientific article published on 12 January 2007

Resistance to avapritinib in PDGFRA-driven GIST is caused by secondary mutations in the PDGFRA kinase domain

scientific article published on 24 September 2020

Selection of fragments for kinase inhibitor design: decoration is key

scientific article

Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt

scientific article published on 13 February 2019

Structure of the epimerization domain of tyrocidine synthetase A

scientific article

Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.

scientific article published on 4 August 2016

Structure-based optimization of non-peptidic Cathepsin D inhibitors

scientific article

TRAPP: a tool for analysis of transient binding pockets in proteins

scientific article published on 16 May 2013

The mid-region of parathyroid hormone (1-34) serves as a functional docking domain in receptor activation.

scientific article

Tracing changes in protonation: a prerequisite to factorize thermodynamic data of inhibitor binding to aldose reductase

scientific article

Who cares for the protons?

scientific article published on 10 March 2012

hERG me out.

scientific article published on 21 August 2013

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