I agree that this site is using cookies. You can find further informations here.
X
Tautermann, Christofer S.
90  results:
english X
Search for persons X
?
1

Drug design on quantum computers:

Santagati, Raffaele ; Aspuru-Guzik, Alan ; Babbush, Ryan...
Nature Physics.  , 2024
Link: https://doi.org/10.1038/..
 
?
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/..
 
?
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/..
 
?
4

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/..
 
?
5

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/..
 
?
6

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/..
 
?
7

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/..
 
?
8

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/..
 
?
9

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/..
 
?
10

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/..
 
?
11

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/..
 
?
12

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/..
 
?
13

Enhancing Drug Residence Time by Shielding of Intra-Protein..:

Magarkar, Aniket ; Schnapp, Gisela ; Apel, Anna-Katharina..
ACS Medicinal Chemistry Letters.  10 (2019)  3 - p. 324-328 , 2019
Link: https://doi.org/10.1021/..
 
?
14

A Fast Ab Initio Predictor Tool for Covalent Reactivity Est..:

Palazzesi, Ferruccio ; Grundl, Marc A. ; Pautsch, Alexander..
Journal of Chemical Information and Modeling.  59 (2019)  8 - p. 3565-3571 , 2019
Link: https://doi.org/10.1021/..
 
?
15

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/..
 
1-15