List of works - Oliver Koch

11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.

scientific article (publication date: April 2016)

A benchmark driven guide to binding site comparison: An exhaustive evaluation using tailor-made data sets (ProSPECCTs)

scientific article published on 8 November 2018

A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening.

scientific article published on 16 March 2018

Advances in the Prediction of Turn Structures in Peptides and Proteins

scientific article

An automated method for consistent helix assignment using turn information.

scientific article published on March 2011

Binding site characterization - similarity, promiscuity, and druggability

scientific article published on 06 June 2019

CHIPMUNK: A virtual synthesizable small molecule library for medicinal chemistry exploitable for protein-protein interaction modulators.

scientific article published in February 2018

Complete, Programmable Decoding of Oxidized 5-Methylcytosine Nucleobases in DNA by Chemoselective Blockage of Universal Transcription-Activator-Like Effector Repeats

scientific article published on 20 April 2018

Cooperative effects in hydrogen-bonding of protein secondary structure elements: a systematic analysis of crystal data using Secbase.

scientific article

Design, synthesis and 3D-QSAR studies of novel 1,4-dihydropyridines as TGFβ/Smad inhibitors

scientific article published on 14 March 2015

Development of novel potent orally bioavailable oseltamivir derivatives active against resistant influenza A.

scientific article

Identification of CLK1 Inhibitors by a Fragment-linking Based Virtual Screening

scientific article

Impact of Binding Site Comparisons on Medicinal Chemistry and Rational Molecular Design

scientific article published on 21 April 2016

Inhibitors to Overcome Secondary Mutations in the Stem Cell Factor Receptor KIT.

scientific article

Interrogating Key Positions of Size-Reduced TALE Repeats Reveals a Programmable Sensor of 5-Carboxylcytosine

scientific article

One-Pot N2C/C2C/N2N Ligation To Trap Weak Protein-Protein Interactions

scientific article published on 23 May 2016

Overcoming conservation in TALE-DNA interactions: a minimal repeat scaffold enables selective recognition of an oxidized 5-methylcytosine

article

Prediction of turn types in protein structure by machine-learning classifiers.

scientific article

PyGOLD: A python based API for docking based virtual screening workflow generation.

scientific article

Scaffold Hunter: a comprehensive visual analytics framework for drug discovery.

scientific article published on 11 May 2017

Scaffold hunter: visual analysis of biological activity data.

scientific article published on 11 March 2014

Secbase - secondary structure elements and ligand binding

Secbase: database module to retrieve secondary structure elements with ligand binding motifs.

scientific article published in October 2009

Selective Inhibition of Histone Deacetylase 10: Hydrogen Bonding to the Gatekeeper Residue is Implicated

scientific article published on 29 April 2019

Small-Molecule Inhibition of the UNC119-Cargo Interaction

scientific article

Spatiotemporal imaging of small GTPases activity in live cells

scientific article

Structure-Based Design of Inhibitors of Protein-Protein Interactions: Mimicking Peptide Binding Epitopes.

scientific article published on 26 June 2015

Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions

scientific article published on 13 October 2017

The Development of Target-Specific Machine Learning Models as Scoring Functions for Docking-Based Target Prediction

scientific article published on 18 March 2019

The N6-Position of Adenine Is a Blind Spot for TAL-Effectors That Enables Effective Binding of Methylated and Fluorophore-Labeled DNA.

scientific article published on 11 May 2017

Use of Secondary Structure Element Information in Drug Design: Polypharmacology and Conserved Motifs in Protein–Ligand Binding and Protein–Protein Interfaces ⬇️

scientific article published on April 1, 2011

Visual Analysis of Biological Activity Data with Scaffold Hunter

scientific article

What Can We Learn from Bioactivity Data? Chemoinformatics Tools and Applications in Chemical Biology Research.

scientific article

ω-Imidazolyl- and ω-Tetrazolylalkylcarbamates as Inhibitors of Fatty Acid Amide Hydrolase: Biological Activity and in vitro Metabolic Stability.

scientific article published on 6 January 2016

List of works by Oliver Koch

11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.

A benchmark driven guide to binding site comparison: An exhaustive evaluation using tailor-made data sets (ProSPECCTs)

A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening.

Advances in the Prediction of Turn Structures in Peptides and Proteins

An automated method for consistent helix assignment using turn information.

Binding site characterization - similarity, promiscuity, and druggability

CHIPMUNK: A virtual synthesizable small molecule library for medicinal chemistry exploitable for protein-protein interaction modulators.

Complete, Programmable Decoding of Oxidized 5-Methylcytosine Nucleobases in DNA by Chemoselective Blockage of Universal Transcription-Activator-Like Effector Repeats

Cooperative effects in hydrogen-bonding of protein secondary structure elements: a systematic analysis of crystal data using Secbase.

Design, synthesis and 3D-QSAR studies of novel 1,4-dihydropyridines as TGFβ/Smad inhibitors

Development of novel potent orally bioavailable oseltamivir derivatives active against resistant influenza A.

Identification of CLK1 Inhibitors by a Fragment-linking Based Virtual Screening

Impact of Binding Site Comparisons on Medicinal Chemistry and Rational Molecular Design

Inhibitors to Overcome Secondary Mutations in the Stem Cell Factor Receptor KIT.

Interrogating Key Positions of Size-Reduced TALE Repeats Reveals a Programmable Sensor of 5-Carboxylcytosine

One-Pot N2C/C2C/N2N Ligation To Trap Weak Protein-Protein Interactions

Overcoming conservation in TALE-DNA interactions: a minimal repeat scaffold enables selective recognition of an oxidized 5-methylcytosine

Prediction of turn types in protein structure by machine-learning classifiers.

PyGOLD: A python based API for docking based virtual screening workflow generation.

Scaffold Hunter: a comprehensive visual analytics framework for drug discovery.

Scaffold hunter: visual analysis of biological activity data.

Secbase - secondary structure elements and ligand binding

Secbase: database module to retrieve secondary structure elements with ligand binding motifs.

Selective Inhibition of Histone Deacetylase 10: Hydrogen Bonding to the Gatekeeper Residue is Implicated

Small-Molecule Inhibition of the UNC119-Cargo Interaction

Spatiotemporal imaging of small GTPases activity in live cells

Structure-Based Design of Inhibitors of Protein-Protein Interactions: Mimicking Peptide Binding Epitopes.

Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions

The Development of Target-Specific Machine Learning Models as Scoring Functions for Docking-Based Target Prediction

The N6-Position of Adenine Is a Blind Spot for TAL-Effectors That Enables Effective Binding of Methylated and Fluorophore-Labeled DNA.

Use of Secondary Structure Element Information in Drug Design: Polypharmacology and Conserved Motifs in Protein–Ligand Binding and Protein–Protein Interfaces ⬇️

Visual Analysis of Biological Activity Data with Scaffold Hunter

What Can We Learn from Bioactivity Data? Chemoinformatics Tools and Applications in Chemical Biology Research.

ω-Imidazolyl- and ω-Tetrazolylalkylcarbamates as Inhibitors of Fatty Acid Amide Hydrolase: Biological Activity and in vitro Metabolic Stability.