Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS
Korb, Oliver, Stützle, Thomas, Exner, Thomas E
Published in Journal of Chemical Information and Modeling (01.01.2009)
Published in Journal of Chemical Information and Modeling (01.01.2009)
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Journal Article
@TOME 3.0: Interfacing Protein Structure Modeling and Ligand Docking
Pons, Jean-Luc, Reys, Victor, Grand, François, Moreau, Violaine, Gracy, Jerôme, Exner, Thomas E., Labesse, Gilles
Published in Journal of molecular biology (01.09.2024)
Published in Journal of molecular biology (01.09.2024)
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Journal Article
PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design
Korb, Oliver, Stützle, Thomas, Exner, Thomas E.
Published in Ant Colony Optimization and Swarm Intelligence (2006)
Published in Ant Colony Optimization and Swarm Intelligence (2006)
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Book Chapter
Conference Proceeding
Capturing time-dependent activation of genes and stress-response pathways using transcriptomics in iPSC-derived renal proximal tubule cells
Jennings, Paul, Carta, Giada, Singh, Pranika, da Costa Pereira, Daniel, Feher, Anita, Dinnyes, Andras, Exner, Thomas E., Wilmes, Anja
Published in Cell biology and toxicology (01.08.2023)
Published in Cell biology and toxicology (01.08.2023)
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Journal Article
Influence of Protonation, Tautomeric, and Stereoisomeric States on Protein−Ligand Docking Results
ten Brink, Tim, Exner, Thomas E
Published in Journal of Chemical Information and Modeling (22.06.2009)
Published in Journal of Chemical Information and Modeling (22.06.2009)
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Journal Article
pKa based protonation states and microspecies for protein–ligand docking
ten Brink, Tim, Exner, Thomas E.
Published in Journal of computer-aided molecular design (01.11.2010)
Published in Journal of computer-aided molecular design (01.11.2010)
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Journal Article
pK(a) based protonation states and microspecies for protein-ligand docking
ten Brink, Tim, Exner, Thomas E
Published in Journal of computer-aided molecular design (01.11.2010)
Published in Journal of computer-aided molecular design (01.11.2010)
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Journal Article
Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53
Joerger, Andreas C., Bauer, Matthias R., Wilcken, Rainer, Baud, Matthias G.J., Harbrecht, Hannes, Exner, Thomas E., Boeckler, Frank M., Spencer, John, Fersht, Alan R.
Published in Structure (London) (01.12.2015)
Published in Structure (London) (01.12.2015)
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Journal Article
Development of a comprehensive open access "molecules with androgenic activity resource (MAAR)" to facilitate risk assessment of chemicals
Dong, Fan, Hardy, Barry, Liu, Jie, Mohoric, Tomaz, Guo, Wenjing, Exner, Thomas, Tong, Weida, Dohler, Joh, Bachler, Daniel, Hong, Huixiao
Published in Experimental biology and medicine (Maywood, N.J.) (19.09.2024)
Published in Experimental biology and medicine (Maywood, N.J.) (19.09.2024)
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Journal Article
Scaffold Effects on Halogen Bonding Strength
Lange, Andreas, Heidrich, Johannes, Zimmermann, Markus O, Exner, Thomas E, Boeckler, Frank M
Published in Journal of chemical information and modeling (25.02.2019)
Published in Journal of chemical information and modeling (25.02.2019)
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Journal Article
Binding of HasA by its transmembrane receptor HasR follows a conformational funnel mechanism
Exner, Thomas E., Becker, Stefanie, Becker, Simon, Boniface-Guiraud, Audrey, Delepelaire, Philippe, Diederichs, Kay, Welte, Wolfram
Published in European biophysics journal (01.01.2020)
Published in European biophysics journal (01.01.2020)
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Journal Article
The majority of circulating platelet-derived microparticles fail to bind annexin V, lack phospholipid-dependent procoagulant activity and demonstrate greater expression of glycoprotein Ib
Connor, David Ewan, Exner, Thomas, Ma, David Dang Fung, Joseph, Joanne Emily
Published in Thrombosis and haemostasis (01.05.2010)
Published in Thrombosis and haemostasis (01.05.2010)
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Journal Article
Human Telomeric Quadruplex Conformations Studied by Pulsed EPR
Singh, Vijay, Azarkh, Mykhailo, Exner, Thomas E, Hartig, Jörg S, Drescher, Malte
Published in Angewandte Chemie (International ed.) (14.12.2009)
Published in Angewandte Chemie (International ed.) (14.12.2009)
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Journal Article
Nanodiscs for INPHARMA NMR Characterization of GPCRs: Ligand Binding to the Human A2A Adenosine Receptor
Fredriksson, Kai, Lottmann, Philip, Hinz, Sonja, Onila, Iounut, Shymanets, Aliaksei, Harteneck, Christian, Müller, Christa E., Griesinger, Christian, Exner, Thomas E.
Published in Angewandte Chemie International Edition (15.05.2017)
Published in Angewandte Chemie International Edition (15.05.2017)
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Journal Article
A semi-automated workflow for adverse outcome pathway hypothesis generation: The use case of non-genotoxic induced hepatocellular carcinoma
Doktorova, Tatyana Y., Oki, Noffisat O., Mohorič, Tomaž, Exner, Thomas E., Hardy, Barry
Published in Regulatory toxicology and pharmacology (01.07.2020)
Published in Regulatory toxicology and pharmacology (01.07.2020)
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Journal Article