Thomas E. Exner

5.0k citations

93 papers · 3.3k indexed · 1 hit paper · h-index 29

Impact in

Computational Theory and Mathematics top 0.5%
- Computational Drug Discovery Methods
Spectroscopy top 2%
- Molecular spectroscopy and chirality
- Advanced NMR Techniques and Applications

Papers in ⓘ

Computational Theory and Mathematics 24
- Computational Drug Discovery Methods 23
Spectroscopy 18
- Molecular spectroscopy and chirality 7
- Advanced NMR Techniques and Applications 5

Co-authors: Oliver Korb (8 shared papers)Thomas Stützle (4 shared papers)Paul G. Mezey (6 shared papers)Tim ten Brink (6 shared papers)Heiko M. Möller (10 shared papers)Jürgen Brickmann (5 shared papers)Frank M. Boeckler (5 shared papers)Alexander Titz (2 shared papers)
Journals: Journal of Chemical Information and Modeling (9 papers)Journal of Molecular Modeling (6 papers)Journal of Computational Chemistry (4 papers)Toxicology in Vitro (4 papers)Journal of Computer-Aided Molecular Design (4 papers)
Partner nations: Germany United Kingdom Canada

In The Last Decade

Thomas E. Exner

88 papers receiving 3.2k citations

Hit Papers

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Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS 2009 · 1.1k citations

Peers

Countries citing papers authored by Thomas E. Exner

Since Specialization

Citations

This map shows the geographic impact of Thomas E. Exner's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Thomas E. Exner with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Thomas E. Exner more than expected).

Fields of papers citing papers by Thomas E. Exner

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Thomas E. Exner. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Thomas E. Exner. The network helps show where Thomas E. Exner may publish in the future.

Co-authors

The 25 scholars most cited alongside Thomas E. Exner, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Thomas E. Exner Line = papers co-authored together Thomas E. Exner links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

Showing the 20 most-cited of 93 papers — load more, or switch the sort, to bring in the rest.

#	Work
1	Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS Journal of Chemical Information and Modeling ·Oliver Korb, Thomas Stützle, Thomas E. Exner Hit paper breakdown →	2009	1055
2	An ant colony optimization approach to flexible protein–ligand docking Swarm Intelligence ·Oliver Korb, Thomas Stützle, Thomas E. Exner	2007	186
3	Influence of Protonation, Tautomeric, and Stereoisomeric States on Protein−Ligand Docking Results Journal of Chemical Information and Modeling ·Tim ten Brink, Thomas E. Exner	2009	130
4	Ab Initio-Quality Electrostatic Potentials for Proteins: An Application of the ADMA Approach The Journal of Physical Chemistry A ·Thomas E. Exner, Paul G. Mezey	2002	96
5	Ab initio quality properties for macromolecules using the ADMA approach Journal of Computational Chemistry ·Thomas E. Exner, Paul G. Mezey	2003	91
6	The Field-Adapted ADMA Approach: Introducing Point Charges The Journal of Physical Chemistry A ·Thomas E. Exner, Paul G. Mezey	2004	88
7	pKa based protonation states and microspecies for protein–ligand docking Journal of Computer-Aided Molecular Design ·Tim ten Brink, Thomas E. Exner	2010	83
8	Discovery of Two Classes of Potent Glycomimetic Inhibitors of Pseudomonas aeruginosa LecB with Distinct Binding Modes ACS Chemical Biology ·Dirk Hauck, Ines Joachim, Benjamin Frommeyer, Annabelle Varrot, Bodo Philipp, Heiko M. Möller, Anne Imberty, Thomas E. Exner, Alexander Titz	2013	76
9	Ab initio chemical safety assessment: A workflow based on exposure considerations and non-animal methods Computational Toxicology ·Elisabet Berggren, Andrew White, Gladys Ouédraogo, Alicia Paini, Andrea-Nicole Richarz, Frédéric Y. Bois, Thomas E. Exner, Sofia Batista Leite, Leo A. van Grunsven, Andrew Worth, Catherine Mahony	2017	71
10	Human Telomeric Quadruplex Conformations Studied by Pulsed EPR Angewandte Chemie International Edition ·Vijay Pal Singh, Mykhailo Azarkh, Thomas E. Exner, Jörg S. Hartig, Malte Drescher	2009	67
11	Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 2. Level of Theory, Basis Set, and Solvents Model Dependence Journal of Chemical Theory and Computation ·Andrea Frank, Heiko M. Möller, Thomas E. Exner	2012	60
12	Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53 Structure ·Andreas C. Joerger, Matthias R. Bauer, Rainer Wilcken, Matthias G. J. Baud, Hannes Harbrecht, Thomas E. Exner, Frank M. Boeckler, John Spencer, Alan R. Fersht	2015	49
13	Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift Predictions Journal of Chemical Theory and Computation ·Martin Dračínský, Heiko M. Möller, Thomas E. Exner	2013	48
14	Pattern recognition strategies for molecular surfaces: III. Binding site prediction with a neural network Journal of Computational Chemistry ·Matthias Keil, Thomas E. Exner, Jürgen Brickmann	2004	46
15	Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 3. Conformational Sampling and Explicit Solvents Model Journal of Chemical Theory and Computation ·Thomas E. Exner, Andrea Frank, Ionut Onila, Heiko M. Möller	2012	46
16	Toward the quantum chemical calculation of nuclear magnetic resonance chemical shifts of proteins Proteins Structure Function and Bioinformatics ·Andrea Frank, Ionut Onila, Heiko M. Möller, Thomas E. Exner	2011	43
17	Data quality in drug discovery: the role of analytical performance in ligand binding assays Journal of Computer-Aided Molecular Design ·Hermann Wätzig, Imke Oltmann‐Norden, Franziska Steinicke, Hassan A. Alhazmi, Markus Nachbar, Deia Abd El‐Hady, Hassan M. Albishri, Knut Baumann, Thomas E. Exner, Frank Böckler, Sami El Deeb	2015	41
18	Halogen-Enriched Fragment Libraries as Chemical Probes for Harnessing Halogen Bonding in Fragment-Based Lead Discovery Future Medicinal Chemistry ·Markus O. Zimmermann, Andreas Lange, Rainer Wilcken, Markus B Cieslik, Thomas E. Exner, Andreas C. Joerger, Pierre Koch, Frank M. Boeckler	2014	41
19	Metadata Stewardship in Nanosafety Research: Community-Driven Organisation of Metadata Schemas to Support FAIR Nanoscience Data Nanomaterials ·Anastasios G. Papadiamantis, Frederick C. Klaessig, Thomas E. Exner, Sabine Hofer, Norbert Hofstaetter, Martin Himly, Marc A. Williams, Philip Doganis, Mark D. Hoover, Antreas Afantitis, Georgia Melagraki, Tracy S. Nolan, John Rumble, Dieter Maier, Iseult Lynch	2020	40
20	Evaluation of the field-adapted ADMA approach: absolute and relative energies of crambin and derivatives Physical Chemistry Chemical Physics ·Thomas E. Exner, Paul G. Mezey	2005	39

About Thomas E. Exner

Thomas E. Exner is a scholar working on Computational Theory and Mathematics, Spectroscopy, Biophysics, Information Systems and Management and Physical and Theoretical Chemistry, having authored 93 papers that have together received 3.3k indexed citations. Recurring topics across this work include Protein Structure and Dynamics (29 papers), Computational Drug Discovery Methods (23 papers), Enzyme Structure and Function (10 papers), Molecular spectroscopy and chirality (7 papers), Advanced Chemical Physics Studies (7 papers), Scientific Computing and Data Management (7 papers), DNA and Nucleic Acid Chemistry (6 papers) and Advanced NMR Techniques and Applications (5 papers). The work is most often cited by research in Computational Theory and Mathematics (930 citations), Spectroscopy (439 citations), Molecular Biology (1.8k citations), Physical and Theoretical Chemistry (233 citations) and Organic Chemistry (609 citations). Thomas E. Exner has collaborated with scholars based in Germany, United Kingdom and Canada. Frequent co-authors include Oliver Korb, Thomas Stützle, Paul G. Mezey, Tim ten Brink, Heiko M. Möller, Jürgen Brickmann, Frank M. Boeckler, Alexander Titz, Malte Drescher and Martin Dračínský. Their work appears in journals such as Journal of Chemical Information and Modeling, Journal of Molecular Modeling, Journal of Computational Chemistry, Toxicology in Vitro and Journal of Computer-Aided Molecular Design.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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