E-LIB Suche - Ergebnisse für: Margreitter, Christian

1

Faster and more diverse de novo molecular optimization with..:

Bjerrum, Esben Jannik ; Margreitter, Christian ; Blaschke, Thomas..
Journal of Computer-Aided Molecular Design. 37 (2023) 8 - p. 373-394 , 2023

Link: https://doi.org/10.1007/..

2

Design and Evaluation of a Low Hydrogen Bond Donor Count Fr..:

Whitehurst, Benjamin C. ; Bauer, Matthias R. ; Edfeldt, Fredrik...
Journal of Medicinal Chemistry. 66 (2023) 11 - p. 7594-7604 , 2023

Link: https://doi.org/10.1021/..

3

Link-INVENT: generative linker design with reinforcement le..:

Guo, Jeff ; Knuth, Franziska ; Margreitter, Christian...
Digital Discovery. 2 (2023) 2 - p. 392-408 , 2023

Link: https://doi.org/10.1039/..

4

Automated relative binding free energy calculations from SM..:

Moore, J. Harry ; Margreitter, Christian ; Janet, Jon Paul...
Communications Chemistry. 6 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

5

Improving de novo molecular design with curriculum learning:

Guo, Jeff ; Fialková, Vendy ; Arango, Juan Diego...
Nature Machine Intelligence. 4 (2022) 6 - p. 555-563 , 2022

Link: https://doi.org/10.1038/..

6

Author Correction: Improving de novo molecular design with ..:

Guo, Jeff ; Fialková, Vendy ; Arango, Juan Diego...
Nature Machine Intelligence. 4 (2022) 8 - p. 731-731 , 2022

Link: https://doi.org/10.1038/..

7

Implications of Additivity and Nonadditivity for Machine Le..:

Kwapien, Karolina ; Nittinger, Eva ; He, Jiazhen...
ACS Omega. 7 (2022) 30 - p. 26573-26581 , 2022

Link: https://doi.org/10.1021/..

8

Pandemic, Epidemic, Endemic: B Cell Repertoire Analysis Rev..:

Stewart, Alexander ; Sinclair, Emma ; Ng, Joseph Chi-Fung...
Frontiers in Immunology. 13 (2022) - p. , 2022

Link: https://doi.org/10.3389/..

9

DockStream: a docking wrapper to enhance de novo molecular ..:

Guo, Jeff ; Janet, Jon Paul ; Bauer, Matthias R....
Journal of Cheminformatics. 13 (2021) 1 - p. , 2021

Link: https://doi.org/10.1186/..

10

REINVENT 2.0: An AI Tool for De Novo Drug Design:

Blaschke, Thomas ; Arús-Pous, Josep ; Chen, Hongming...
Journal of Chemical Information and Modeling. 60 (2020) 12 - p. 5918-5922 , 2020

Link: https://doi.org/10.1021/..

11

Correction: Tissue-specific shaping of the TCR repertoire a..:

Jimeno, Rebeca ; Lebrusant-Fernandez, Marta ; Margreitter, Christian...
eLife. 9 (2020) - p. , 2020

Link: https://doi.org/10.7554/..

12

UDP-N-acetyl-α-D-galactosamine:polypeptide N-acetylgalactos..:

Turupcu, Aysegül ; Poliak, Peter ; Margreitter, Christian..
Glycoconjugate Journal. 37 (2019) 1 - p. 15-25 , 2019

Link: https://doi.org/10.1007/..

13

Tissue-specific shaping of the TCR repertoire and antigen s..:

Jimeno, Rebeca ; Lebrusant-Fernandez, Marta ; Margreitter, Christian...
eLife. 8 (2019) - p. , 2019

Link: https://doi.org/10.7554/..

14

Lipid Head Group Parameterization for GROMOS 54A8: A Consis..:

Marzuoli, Irene ; Margreitter, Christian ; Fraternali, Franca
Journal of Chemical Theory and Computation. 15 (2019) 10 - p. 5175-5193 , 2019

Link: https://doi.org/10.1021/..

15

BRepertoire: a user-friendly web server for analysing antib..:

Margreitter, Christian ; Lu, Hui-Chun ; Townsend, Catherine...
Nucleic Acids Research. 46 (2018) W1 - p. W264-W270 , 2018

Link: https://doi.org/10.1093/..