Daniel Kuhn

发表

A new method to detect related function among proteins independent of sequence and fold homology.

G. Klebe, Stefan Schmitt, Daniel Kuhn, 2002, Journal of molecular biology.

Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.

G. Klebe, Daniel Kuhn, A. Heine, 2004, Journal of medicinal chemistry.

G. Klebe, E. Hüllermeier, Stefan Schmitt, 2006, Journal of Molecular Biology.

Multiple Graph Alignment for the Structural Analysis of Protein Active Sites

G. Klebe, Daniel Kuhn, Nils Weskamp, 2007, TCBB.

Functional Classification of Protein Kinase Binding Sites Using Cavbase

Eyke Hüllermeier, Gerhard Klebe, Nils Weskamp, 2007, ChemMedChem.

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

Catherine Jorand Lebrun, Andrea Unzue Lopez, Daniel Kuhn, 2020, J. Chem. Inf. Model..

The Senescence-associated Secretory Phenotype Mediates Oncogene-induced Senescence in Pediatric Pilocytic Astrocytoma

David T. W. Jones, M. Kool, S. Pfister, 2018, Clinical Cancer Research.

Renal pathology in a mouse model of severe Spinal Muscular Atrophy is associated with downregulation of Glial Cell-Line Derived Neurotrophic Factor (GDNF).

Daniel Kuhn, F. Quondamatteo, P. Claus, 2020, Human molecular genetics.

Tuning gradient boosting for imbalanced bioassay modelling with custom loss functions

Daniel Kuhn, S. Sieber, Lukas Friedrich, 2022, Journal of Cheminformatics.

DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment

Daniel Kuhn, Matthias Rarey, Friedrich Rippmann, 2012, Bioinform..

Combining Global and Local Measures for Structure-Based Druggability Predictions

Daniel Kuhn, Matthias Rarey, Friedrich Rippmann, 2012, J. Chem. Inf. Model..

An Efficient Method for the Synthesis of Peptide Aldehyde Libraries Employed in the Discovery of Reversible SARS Coronavirus Main Protease (SARS‐CoV Mpro) Inhibitors

Jörg Rademann, Gerhard Klebe, Rolf Hilgenfeld, 2006, Chembiochem : a European journal of chemical biology.

Production of Bioactive Compounds vs. Recombinant Proteins

Daniel Kuhn, C. F. Volken de Souza, M. Goettert, 2021, Bioprospecting of Microorganism‐Based Industrial Molecules.

Abstract 3500: Highly potent and selective ATM kinase inhibitor M4076: A clinical candidate drug with strong anti-tumor activity in combination therapies

Daniel Kuhn, T. Fuchss, A. Blaukat, 2019, Molecular and Cellular Biology / Genetics.

Three million images and morphological profiles of cells treated with matched chemical and genetic perturbations

Anne E Carpenter, Juan C. Caicedo, John G Doench, 2022, bioRxiv.

LmxPK4, a mitogen‐activated protein kinase kinase homologue of Leishmania mexicana with a potential role in parasite differentiation

Daniel Kuhn, M. Wiese, 2005, Molecular microbiology.

Eyke Hüllermeier, Daniel Kuhn, Gerhard Klebe, 2004, Bioinform..

Predicting enzymatic function from global binding site descriptors

Daniel Kuhn, Matthias Rarey, Friedrich Rippmann, 2013, Proteins.

LmxMPK9, a mitogen‐activated protein kinase homologue affects flagellar length in Leishmania mexicana

Daniel Kuhn, M. Wiese, Anne Scholz, 2005, Molecular microbiology.

Evidence of promiscuous endothelial binding by Plasmodium falciparum‐infected erythrocytes

A. Craig, Daniel Kuhn, S. Jalkanen, 2014, Cellular microbiology.

Optimization of a Screening Hit toward M2912, an Oral Tankyrase Inhibitor with Antitumor Activity in Colorectal Cancer Models.

Daniel Kuhn, D. Dorsch, F. Rohdich, 2021, Journal of medicinal chemistry.

Protein Kinase Involved in Flagellar-Length Control

Daniel Kuhn, M. Wiese, C. G. Grünfelder, 2003, Eukaryotic Cell.

Promoter polymorphism of the anion-exchange protein 1 associated with severe malarial anemia and fatality.

Daniel Kuhn, T. Agbenyega, J. May, 2006, The Journal of infectious diseases.

Graph Alignment: Fuzzy Pattern Mining for the Structural Analysis of Protein Active Sites

Eyke Hüllermeier, Daniel Kuhn, Gerhard Klebe, 2007, 2007 IEEE International Fuzzy Systems Conference.

Multiple Graph Alignment for the Structural Analysis of Protein Active Sites

Eyke Hüllermeier, Daniel Kuhn, Gerhard Klebe, 2007, IEEE/ACM Transactions on Computational Biology and Bioinformatics.

2006 reviewers list

Eyke Hüllermeier, Gerhard Klebe, Nils Weskamp, 2007 .

Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity.

M. Lehmann, Daniel Kuhn, D. Dorsch, 2019, Journal of medicinal chemistry.

SUMO – In Silico Sequence Assessment Using Multiple Optimization Parameters

Daniel Kuhn, F. Rippmann, A. Evers, 2022, bioRxiv.

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding

Tudor I. Oprea, Rommie E. Amaro, Yoshua Bengio, 2021, Nature Reviews Chemistry.

Context-enriched molecule representations improve few-shot drug discovery

S. Hochreiter, Daniel Kuhn, G. Klambauer, 2023, ICLR.

JUMP Cell Painting dataset: morphological impact of 136,000 chemical and genetic perturbations

Anne E Carpenter, Lewis H. Mervin, Patrick W. Faloon, 2023, bioRxiv.

Practical guidelines for the use of gradient boosting for molecular property prediction

Daniel Kuhn, S. Sieber, F. Grisoni, 2023, Journal of Cheminformatics.

Relative binding affinity prediction of farnesoid X receptor in the D3R Grand Challenge 2 using FEP+

Daniel Kuhn, Friedrich Rippmann, Christina Schindler, 2017, Journal of Computer-Aided Molecular Design.