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Tautermann, Christofer S.
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1

Drug design on quantum computers:

Santagati, Raffaele ; Aspuru-Guzik, Alan ; Babbush, Ryan...
Nature Physics.  , 2024
Link: https://doi.org/10.1038/..
 
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2

Fault-Tolerant Quantum Algorithm for Symmetry-Adapted Pertu..:

Cortes, Cristian L. ; Loipersberger, Matthias ; Parrish, Robert M....
PRX Quantum.  5 (2024)  1 - p. , 2024
Link: https://doi.org/10.1103/..
 
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3

Estimation of Electrostatic Interaction Energies on a Trapp..:

Ollitrault, Pauline J. ; Loipersberger, Matthias ; Parrish, Robert M....
ACS Central Science.  , 2024
Link: https://doi.org/10.1021/..
 
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4

Towards holistic Compound Quality Scores: Extending ligand ..:

Tautermann, Christofer S. ; Borghardt, Jens M. ; Pfau, Roland...
Drug Discovery Today.  28 (2023)  11 - p. 103758 , 2023
Link: https://doi.org/10.1016/..
 
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5

BIreactive: Expanding the Scope of Reactivity Predictions t..:

Hermann, Markus R. ; Tautermann, Christofer S. ; Sieger, Peter..
Pharmaceuticals.  16 (2023)  1 - p. 116 , 2023
Link: https://doi.org/10.3390/..
 
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6

Discovery of a Novel Potent and Selective HSD17B13 Inhibito..:

Thamm, Sven ; Willwacher, Marina K. ; Aspnes, Gary E....
Journal of Medicinal Chemistry.  66 (2023)  4 - p. 2832-2850 , 2023
Link: https://doi.org/10.1021/..
 
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7

Reliably assessing the electronic structure of cytochrome P..:

Goings, Joshua J. ; White, Alec ; Lee, Joonho...
Proceedings of the National Academy of Sciences.  119 (2022)  38 - p. , 2022
Link: https://doi.org/10.1073/..
 
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8

BRD4: quantum mechanical protein–ligand binding free energi..:

Gundelach, Lennart ; Fox, Thomas ; Tautermann, Christofer S..
Physical Chemistry Chemical Physics.  24 (2022)  41 - p. 25240-25249 , 2022
Link: https://doi.org/10.1039/..
 
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9

Efficient quantum computation of molecular forces and other..:

O'Brien, Thomas E. ; Streif, Michael ; Rubin, Nicholas C....
Physical Review Research.  4 (2022)  4 - p. , 2022
Link: https://doi.org/10.1103/..
 
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10

Der (lange) Weg zu einem Quantenvorteil in der Pharmabranch:

, In: Chancen und Risiken von Quantentechnologien,
Streif, Michael ; Degroote, Matthias ; Kyoseva, Elica... - p. 157-165 , 2022
Link: https://doi.org/10.1007/..
 
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11

Protein–ligand free energies of binding from full-protein D..:

Gundelach, Lennart ; Fox, Thomas ; Tautermann, Christofer S..
Physical Chemistry Chemical Physics.  23 (2021)  15 - p. 9381-9393 , 2021
Link: https://doi.org/10.1039/..
 
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12

BIreactive: A Machine-Learning Model to Estimate Covalent W..:

Palazzesi, Ferruccio ; Hermann, Markus R. ; Grundl, Marc A....
Journal of Chemical Information and Modeling.  60 (2020)  6 - p. 2915-2923 , 2020
Link: https://doi.org/10.1021/..
 
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13

Covalent inhibitor reactivity prediction by the electrophil..:

Hermann, Markus R. ; Pautsch, Alexander ; Grundl, Marc A...
Journal of Computer-Aided Molecular Design.  35 (2020)  4 - p. 531-539 , 2020
Link: https://doi.org/10.1007/..
 
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14

Crystal Structure of CC Chemokine Receptor 2A in Complex wi..:

Apel, Anna-Katharina ; Cheng, Robert K.Y. ; Tautermann, Christofer S....
Structure.  27 (2019)  3 - p. 427-438.e5 , 2019
Link: https://doi.org/10.1016/..
 
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15

Second M3 muscarinic receptor binding site contributes to b..:

Kistemaker, Loes E.M. ; Elzinga, Carolina R.S. ; Tautermann, Christofer S....
British Journal of Pharmacology.  176 (2019)  16 - p. 2864-2876 , 2019
Link: https://doi.org/10.1111/..
 
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