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Thomas E. Exner

Orcid: 0000-0002-1849-5246

According to our database¹, Thomas E. Exner authored at least 26 papers between 2000 and 2022.

Collaborative distances:

Dijkstra number² of four.
Erdős number³ of four.

Timeline

Legend:

Book

In proceedings

Article

PhD thesis

Dataset

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Links

Online presence:

on orcid.org

On csauthors.net:

Bibliography

2022

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials.

[BibT_eX]

[DOI]

Jeaphianne P. M. van Rijn

,

Antreas Afantitis

,

,

,

Thomas E. Exner

,

Nina Jeliazkova

,

Eleonora Marta Longhin

,

,

Georgia Melagraki

,

,

Anastasios G. Papadiamantis

,

David A. Winkler

,

,

Egon L. Willighagen

J. Cheminformatics, 2022

2019

Scaffold Effects on Halogen Bonding Strength.

[BibT_eX]

[DOI]

,

Johannes Heidrich

,

Markus O. Zimmermann

,

Thomas E. Exner

,

Frank M. Boeckler

J. Chem. Inf. Model., 2019

Predicting the Magnitude of σ-Holes Using VmaxPred, a Fast and Efficient Tool Supporting the Application of Halogen Bonds in Drug Discovery.

[BibT_eX]

[DOI]

Johannes Heidrich

,

Thomas E. Exner

,

Frank M. Boeckler

J. Chem. Inf. Model., 2019

2017

Supporting evidence-based analysis for modified risk tobacco products through a toxicology data-sharing infrastructure.

[BibT_eX]

[DOI]

Stéphanie Boué

,

Thomas E. Exner

,

,

Vincenzo Belcastro

,

,

,

,

,

,

Patrick Vanscheeuwijck

,

,

Manuel C. Peitsch

F1000Research, 2017

2016

Using Surface Scans for the Evaluation of Halogen Bonds toward the Side Chains of Aspartate, Asparagine, Glutamate, and Glutamine.

[BibT_eX]

[DOI]

Markus O. Zimmermann

,

,

,

Thomas E. Exner

,

Frank M. Boeckler

J. Chem. Inf. Model., 2016

2015

On-the-Fly Integration of Data from a Spin-Diffusion-Based NMR Experiment into Protein-Ligand Docking.

[BibT_eX]

[DOI]

,

,

Kai Fredriksson

,

,

,

Christian Griesinger

,

Teresa Carlomagno

,

Thomas E. Exner

J. Chem. Inf. Model., 2015

Performance of Protein-Ligand Docking with Simulated Chemical Shift Perturbations.

[BibT_eX]

[DOI]

,

Clementine Aguirre

,

Thomas E. Exner

,

J. Chem. Inf. Model., 2015

Data quality in drug discovery: the role of analytical performance in ligand binding assays.

[BibT_eX]

[DOI]

Hermann Wätzig

,

Imke Oltmann-Norden

,

Franziska Steinicke

,

Hassan A. Alhazmi

,

,

Deia Abd El-Hady

,

Hassan M. Albishri

,

,

Thomas E. Exner

,

Frank M. Boeckler

,

J. Comput. Aided Mol. Des., 2015

2014

Can quantum-chemical NMR chemical shifts be used as criterion for force-field development.

[BibT_eX]

[DOI]

Thomas E. Exner

,

,

Heiko M. Möller

,

Martin Dracínský

J. Cheminformatics, 2014

2012

Guiding protein-ligand docking with different experimental NMR-data.

[BibT_eX]

[DOI]

,

,

,

,

Heiko M. Möller

,

Christian Griesinger

,

Teresa Carlomagno

,

Thomas E. Exner

J. Cheminformatics, 2012

Are predefined decoy sets of ligand poses able to quantify scoring function accuracy?

[BibT_eX]

[DOI]

,

,

Fredrick Robin Devadoss

,

Victor Paul Raj

,

,

Thomas E. Exner

J. Comput. Aided Mol. Des., 2012

2011

Accelerating Molecular Docking Calculations Using Graphics Processing Units.

[BibT_eX]

[DOI]

,

Thomas Stützle

,

Thomas E. Exner

J. Chem. Inf. Model., 2011

2010

pharmACOphore: Multiple Flexible Ligand Alignment Based on Ant Colony Optimization.

[BibT_eX]

[DOI]

,

,

Gerhard Hessler

,

Thomas Stützle

,

Thomas E. Exner

J. Chem. Inf. Model., 2010

A combined combinatorial and pKa-based approach to ligand protonation states.

[BibT_eX]

[DOI]

,

Thomas E. Exner

J. Cheminformatics, 2010

pK<sub>a</sub> based protonation states and microspecies for protein-ligand docking.

[BibT_eX]

[DOI]

,

Thomas E. Exner

J. Comput. Aided Mol. Des., 2010

2009

Empirical Scoring Functions for Advanced Protein-Ligand Docking with PLANTS.

[BibT_eX]

[DOI]

,

Thomas Stützle

,

Thomas E. Exner

J. Chem. Inf. Model., 2009

Influence of Protonation, Tautomeric, and Stereoisomeric States on Protein-Ligand Docking Results.

[BibT_eX]

[DOI]

,

Thomas E. Exner

J. Chem. Inf. Model., 2009

Parameterization of an empirical model for the prediction of <i>n</i> -octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients.

[BibT_eX]

[DOI]

,

Jürgen Brickmann

,

Robert Kretschmer

,

Thomas E. Exner

J. Comput. Aided Mol. Des., 2009

2007

An ant colony optimization approach to flexible protein-ligand docking.

[BibT_eX]

[DOI]

,

Thomas Stützle

,

Thomas E. Exner

Swarm Intell., 2007

2006

PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design.

[BibT_eX]

[DOI]

,

Thomas Stützle

,

Thomas E. Exner

Proceedings of the Ant Colony Optimization and Swarm Intelligence, 2006

Hybrid Particle Swarm Optimization: An Examination of the Influence of Iterative Improvement Algorithms on Performance.

[BibT_eX]

[DOI]

,

Thomas Stützle

,

Thomas E. Exner

Proceedings of the Ant Colony Optimization and Swarm Intelligence, 2006

2004

Pattern recognition strategies for molecular surfaces: III. Binding site prediction with a neural network.

[BibT_eX]

[DOI]

,

Thomas E. Exner

,

Jürgen Brickmann

J. Comput. Chem., 2004

2003

Ab initio quality properties for macromolecules using the ADMA approach.

[BibT_eX]

[DOI]

Thomas E. Exner

,

J. Comput. Chem., 2003

2002

Pattern recognition strategies for molecular surfaces. II. Surface complementarity.

[BibT_eX]

[DOI]

Thomas E. Exner

,

,

Jürgen Brickmann

J. Comput. Chem., 2002

Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory.

[BibT_eX]

[DOI]

Thomas E. Exner

,

,

Jürgen Brickmann

J. Comput. Chem., 2002

2000

Computergestützte Strukturbestimmung biochemischer Komplexe durch einen Fuzzy Logic-basierten Algorithmus

[BibT_eX]

[DOI]

Thomas E. Exner

PhD thesis, 2000

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