Christofer Tautermann
Christofer Tautermann
Director Computational Chemistry, Boehringer Ingelheim Pharma GmbH & Co KG
Bestätigte E-Mail-Adresse bei
Zitiert von
Zitiert von
Energy decomposition analysis approaches and their evaluation on prototypical protein–drug interaction patterns
MJS Phipps, T Fox, CS Tautermann, CK Skylaris
Chemical society reviews 44 (10), 3177-3211, 2015
Predicting catalysis: understanding ammonia synthesis from first-principles calculations
A Hellman, EJ Baerends, M Biczysko, T Bligaard, CH Christensen, ...
The Journal of Physical Chemistry B 110 (36), 17719-17735, 2006
G-protein-coupled receptor-focused drug discovery using a target class platform approach
R Heilker, M Wolff, CS Tautermann, M Bieler
Drug discovery today 14 (5-6), 231-240, 2009
Heteroaromatic π-stacking energy landscapes
RG Huber, MA Margreiter, JE Fuchs, S von Grafenstein, CS Tautermann, ...
Journal of chemical information and modeling 54 (5), 1371-1379, 2014
On the Surprising Kinetic Stability of Carbonic Acid (H2CO3)
T Loerting, C Tautermann, RT Kroemer, I Kohl, A Hallbrucker, E Mayer, ...
Angewandte Chemie International Edition 39 (5), 891-894, 2000
GPCR structures in drug design, emerging opportunities with new structures
CS Tautermann
Bioorganic & medicinal chemistry letters 24 (17), 4073-4079, 2014
Data compression for multiple scan chains using dictionaries with corrections
A Wurtenberger, CS Tautermann, S Hellebrand
2004 International Conferce on Test, 926-935, 2004
The optimal tunneling path for the proton transfer in malonaldehyde
CS Tautermann, AF Voegele, T Loerting, KR Liedl
The Journal of chemical physics 117 (5), 1962-1966, 2002
Towards the Experimental Decomposition Rate of Carbonic Acid (H2CO3) in Aqueous Solution
CS Tautermann, AF Voegele, T Loerting, I Kohl, A Hallbrucker, E Mayer, ...
Chemistry–A European Journal 8 (1), 66-73, 2002
Molecular basis for the long duration of action and kinetic selectivity of tiotropium for the muscarinic M3 receptor
CS Tautermann, T Kiechle, D Seeliger, S Diehl, E Wex, R Banholzer, ...
Journal of medicinal chemistry 56 (21), 8746-8756, 2013
The ground-state tunneling splitting of various carboxylic acid dimers
CS Tautermann, AF Voegele, KR Liedl
The Journal of chemical physics 120 (2), 631-637, 2004
Modeling anhydrous and aqua copper (II) amino acid complexes: a new molecular mechanics force field parametrization based on quantum chemical studies and experimental crystal data
J Sabolović, CS Tautermann, T Loerting, KR Liedl
Inorganic chemistry 42 (7), 2268-2279, 2003
Dispersion dominated halogen–π interactions: energies and locations of minima
HG Wallnoefer, T Fox, KR Liedl, CS Tautermann
Physical Chemistry Chemical Physics 12 (45), 14941-14949, 2010
Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules
SJ Fox, C Pittock, T Fox, CS Tautermann, N Malcolm, CK Skylaris
The Journal of chemical physics 135 (22), 2011
Development of a 13C NMR Chemical Shift Prediction Procedure Using B3LYP/cc-pVDZ and Empirically Derived Systematic Error Correction Terms: A …
D Xin, CA Sader, O Chaudhary, PJ Jones, K Wagner, CS Tautermann, ...
The journal of organic chemistry 82 (10), 5135-5145, 2017
Double hydrogen tunneling revisited: The breakdown of experimental tunneling criteria
CS Tautermann, MJ Loferer, AF Voegele, KR Liedl
The Journal of chemical physics 120 (24), 11650-11657, 2004
Developing chemical genetic approaches to explore G protein-coupled receptor function: validation of the use of a receptor activated solely by synthetic ligand (RASSL)
E Alvarez-Curto, R Prihandoko, CS Tautermann, JM Zwier, JD Pediani, ...
Molecular pharmacology 80 (6), 1033-1046, 2011
What can we learn from molecular dynamics simulations for GPCR drug design?
CS Tautermann, D Seeliger, JM Kriegl
Computational and Structural Biotechnology Journal 13, 111-121, 2015
A hybrid coding strategy for optimized test data compression
A Würtenberger, CS Tautermann, S Hellebrand
ITC 3, 451-459, 2003
An accurate semiclassical method to predict ground-state tunneling splittings
CS Tautermann, AF Voegele, T Loerting, KR Liedl
The Journal of chemical physics 117 (5), 1967-1974, 2002
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