Paul Czodrowski
Paul Czodrowski
Professor for physical chemistry
Verified email at - Homepage
Cited by
Cited by
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations
TJ Dolinsky, P Czodrowski, H Li, JE Nielsen, JH Jensen, G Klebe, ...
Nucleic acids research 35 (suppl_2), W522-W525, 2007
Applications of machine learning in drug discovery and development
J Vamathevan, D Clark, P Czodrowski, I Dunham, E Ferran, G Lee, B Li, ...
Nature reviews Drug discovery 18 (6), 463-477, 2019
Large-scale assessment of binding free energy calculations in active drug discovery projects
CEM Schindler, H Baumann, A Blum, D Böse, HP Buchstaller, ...
Journal of Chemical Information and Modeling 60 (11), 5457-5474, 2020
A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease
T Dale, PA Clarke, C Esdar, D Waalboer, O Adeniji-Popoola, ...
Nature chemical biology 11 (12), 973, 2015
Discovery of potent, selective, and orally bioavailable small-molecule modulators of the mediator complex-associated kinases CDK8 and CDK19
A Mallinger, K Schiemann, C Rink, F Stieber, M Calderini, S Crumpler, ...
Journal of medicinal chemistry 59 (3), 1078-1101, 2016
Structure-based optimization of potent, selective, and orally bioavailable CDK8 inhibitors discovered by high-throughput screening
P Czodrowski, A Mallinger, D Wienke, C Esdar, O Pöschke, M Busch, ...
Journal of medicinal chemistry 59 (20), 9337-9349, 2016
Protonation changes upon ligand binding to trypsin and thrombin: structural interpretation based on pKa calculations and ITC experiments
P Czodrowski, CA Sotriffer, G Klebe
Journal of molecular biology 367 (5), 1347-1356, 2007
TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins
DB Kokh, S Richter, S Henrich, P Czodrowski, F Rippmann, RC Wade
Journal of chemical information and modeling 53 (5), 1235-1252, 2013
Structure of the epimerization domain of tyrocidine synthetase A
SA Samel, P Czodrowski, LO Essen
Acta Crystallographica Section D: Biological Crystallography 70 (5), 1442-1452, 2014
Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein–ligand complexes
P Czodrowski, I Dramburg, CA Sotriffer, G Klebe
Proteins: Structure, Function, and Bioinformatics 65 (2), 424-437, 2006
hERG me out
P Czodrowski
Journal of chemical information and modeling 53 (9), 2240-2251, 2013
Resistance to avapritinib in PDGFRA-driven GIST is caused by secondary mutations in the PDGFRA kinase domain
S Grunewald, LR Klug, T Mühlenberg, J Lategahn, J Falkenhorst, A Town, ...
Cancer discovery 11 (1), 108-125, 2021
Computational approaches to predict drug metabolism
P Czodrowski, JM Kriegl, S Scheuerer, T Fox
Expert opinion on drug metabolism & toxicology 5 (1), 15-27, 2009
Tracing changes in protonation: a prerequisite to factorize thermodynamic data of inhibitor binding to aldose reductase
H Steuber, P Czodrowski, CA Sotriffer, G Klebe
Journal of molecular biology 373 (5), 1305-1320, 2007
2, 8-Disubstituted-1, 6-naphthyridines and 4, 6-disubstituted-isoquinolines with potent, selective affinity for CDK8/19
A Mallinger, K Schiemann, C Rink, J Sejberg, MA Honey, P Czodrowski, ...
ACS medicinal chemistry letters 7 (6), 573-578, 2016
The mid-region of parathyroid hormone (1− 34) serves as a functional docking domain in receptor activation
A Wittelsberger, M Corich, BE Thomas, BK Lee, A Barazza, P Czodrowski, ...
Biochemistry 45 (7), 2027-2034, 2006
Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt
N Uhlenbrock, S Smith, J Weisner, I Landel, M Lindemann, TA Le, ...
Chemical Science 10 (12), 3573-3585, 2019
Atypical protonation states in the active site of HIV-1 protease: a computational study
P Czodrowski, CA Sotriffer, G Klebe
Journal of chemical information and modeling 47 (4), 1590-1598, 2007
Count on kappa
P Czodrowski
Journal of computer-aided molecular design 28, 1049-1055, 2014
Discovery of potent and selective CDK8 inhibitors from an HSP90 pharmacophore
K Schiemann, A Mallinger, D Wienke, C Esdar, O Poeschke, M Busch, ...
Bioorganic & medicinal chemistry letters 26 (5), 1443-1451, 2016
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