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Thomas E Exner

Showing results (11-20 of 58) with videos related to

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Journal of Computational Chemistry|July 13, 2002
Pattern recognition strategies for molecular surfaces. II. Surface complementarityThomas E Exner, Matthias Keil, Jürgen Brickmann
Chemmedchem|May 21, 2010
NMR-guided molecular docking of a protein-peptide complex based on ant colony optimizationOliver Korb, Heiko M Möller, Thomas E Exner
Journal of Chemical Theory and Computation|November 25, 2015
Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 2. Level of Theory, Basis Set, and Solvents Model DependenceAndrea Frank, Heiko M Möller, Thomas E Exner
Journal of Chemical Theory and Computation|November 20, 2015
Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift PredictionsMartin Dračínský, Heiko M Möller, Thomas E Exner
Journal of Chemical Information and Modeling|December 25, 2018
Predicting the Magnitude of σ-Holes Using VmaxPred, a Fast and Efficient Tool Supporting the Application of Halogen Bonds in Drug DiscoveryJohannes Heidrich, Thomas E Exner, Frank M Boeckler
Nucleic Acids Research|November 19, 2014
Accurate ab initio prediction of NMR chemical shifts of nucleic acids and nucleic acids/protein complexesAndrea Victora, Heiko M Möller, Thomas E Exner
Journal of Molecular Modeling|April 15, 2014
C(α) torsion angles as a flexible criterion to extract secrets from a molecular dynamics simulationFredrick Robin Devadoss Victor Paul Raj, Thomas E Exner
Journal of Computer-Aided Molecular Design|September 27, 2008
Parameterization of an empirical model for the prediction of n-octanol, alkane and cyclohexane/water as well as brain/blood partition coefficientsMohamed Zerara, Jürgen Brickmann, Robert Kretschmer, et al.
Journal of Chemical Information and Modeling|October 31, 2014
Performance of protein-ligand docking with simulated chemical shift perturbationsTim Ten Brink, Clémentine Aguirre, Thomas E Exner, et al.
Journal of Biomolecular NMR|August 4, 2016
Automated assignment of NMR chemical shifts based on a known structure and 4D spectraMatthias Trautwein, Kai Fredriksson, Heiko M Möller, et al.
Pageof 6

Showing results (11-20 of 58) with videos related to

Sort By:
Pageof 6
Journal of Computational Chemistry|July 13, 2002
Pattern recognition strategies for molecular surfaces. II. Surface complementarityThomas E Exner, Matthias Keil, Jürgen Brickmann
Chemmedchem|May 21, 2010
NMR-guided molecular docking of a protein-peptide complex based on ant colony optimizationOliver Korb, Heiko M Möller, Thomas E Exner
Journal of Chemical Theory and Computation|November 25, 2015
Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 2. Level of Theory, Basis Set, and Solvents Model DependenceAndrea Frank, Heiko M Möller, Thomas E Exner
Journal of Chemical Theory and Computation|November 20, 2015
Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift PredictionsMartin Dračínský, Heiko M Möller, Thomas E Exner
Journal of Chemical Information and Modeling|December 25, 2018
Predicting the Magnitude of σ-Holes Using VmaxPred, a Fast and Efficient Tool Supporting the Application of Halogen Bonds in Drug DiscoveryJohannes Heidrich, Thomas E Exner, Frank M Boeckler
Nucleic Acids Research|November 19, 2014
Accurate ab initio prediction of NMR chemical shifts of nucleic acids and nucleic acids/protein complexesAndrea Victora, Heiko M Möller, Thomas E Exner
Journal of Molecular Modeling|April 15, 2014
C(α) torsion angles as a flexible criterion to extract secrets from a molecular dynamics simulationFredrick Robin Devadoss Victor Paul Raj, Thomas E Exner
Journal of Computer-Aided Molecular Design|September 27, 2008
Parameterization of an empirical model for the prediction of n-octanol, alkane and cyclohexane/water as well as brain/blood partition coefficientsMohamed Zerara, Jürgen Brickmann, Robert Kretschmer, et al.
Journal of Chemical Information and Modeling|October 31, 2014
Performance of protein-ligand docking with simulated chemical shift perturbationsTim Ten Brink, Clémentine Aguirre, Thomas E Exner, et al.
Journal of Biomolecular NMR|August 4, 2016
Automated assignment of NMR chemical shifts based on a known structure and 4D spectraMatthias Trautwein, Kai Fredriksson, Heiko M Möller, et al.
Pageof 6