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X
Eva Nittinger
55  Ergebnisse:
Personensuche X
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1

Modeling PROTAC degradation activity with machine learning:

Ribes, Stefano ; Nittinger, Eva ; Tyrchan, Christian.
Artificial Intelligence in the Life Sciences.  6 (2024)  - p. 100104 , 2024
Link: https://doi.org/10.1016/..
 
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2

Machine learning for small molecule drug discovery in acade..:

Volkamer, Andrea ; Riniker, Sereina ; Nittinger, Eva...
Artificial Intelligence in the Life Sciences.  3 (2023)  - p. 100056 , 2023
Link: https://doi.org/10.1016/..
 
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3

Biomedical data analyses facilitated by open cheminformatic..:

Nittinger, Eva ; Clark, Alex ; Gaulton, Anna.
Journal of Cheminformatics.  15 (2023)  1 - p. , 2023
Link: https://doi.org/10.1186/..
 
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4

Improving reproducibility and reusability in the Journal of..:

Hoyt, Charles Tapley ; Zdrazil, Barbara ; Guha, Rajarshi...
Journal of Cheminformatics.  15 (2023)  1 - p. , 2023
Link: https://doi.org/10.1186/..
 
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5

Similarity-based pairing improves efficiency of siamese neu..:

Zhang, Yumeng ; Menke, Janosch ; He, Jiazhen...
Journal of Cheminformatics.  15 (2023)  1 - p. , 2023
Link: https://doi.org/10.1186/..
 
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6

Contributors:

, In: Computational and Data-Driven Chemistry Using Artificial Intelligence,
Akitsu, Takashiro ; Bissadi, Golnaz ; Cauchy, Thomas... - p. ix-x , 2022
Link: https://doi.org/10.1016/..
 
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7

Transformer-based molecular optimization beyond matched mol..:

He, Jiazhen ; Nittinger, Eva ; Tyrchan, Christian...
Journal of Cheminformatics.  14 (2022)  1 - p. , 2022
Link: https://doi.org/10.1186/..
 
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8

Approaches using AI in medicinal chemistry:

, In: Computational and Data-Driven Chemistry Using Artificial Intelligence,
Tyrchan, Christian ; Nittinger, Eva ; Gogishvili, Dea.. - p. 111-159 , 2022
Link: https://doi.org/10.1016/..
 
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9

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/..
 
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10

Siamese Recurrent Neural Network with a Self-Attention Mech..:

Fernández-Llaneza, Daniel ; Ulander, Silas ; Gogishvili, Dea...
ACS Omega.  6 (2021)  16 - p. 11086-11094 , 2021
Link: https://doi.org/10.1021/..
 
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11

Molecular optimization by capturing chemist's intuition usi..:

He, Jiazhen ; You, Huifang ; Sandström, Emil...
Journal of Cheminformatics.  13 (2021)  1 - p. , 2021
Link: https://doi.org/10.1186/..
 
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12

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/..
 
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13

ProteinsPlus: interactive analysis of protein–ligand bindin..:

Rarey, Matthias ; Steinegger, Ruben ; Nittinger, Eva...
Nucleic Acids Research.  48 (2020)  W1 - p. W48-W53 , 2020
Link: https://doi.org/10.1093/..
 
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14

Water molecules in protein–ligand interfaces. Evaluation of..:

Nittinger, Eva ; Gibbons, Paul ; Eigenbrot, Charles...
Journal of Computer-Aided Molecular Design.  33 (2019)  3 - p. 307-330 , 2019
Link: https://doi.org/10.1007/..
 
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15

Water molecules within the HYDE scoring function 

placement, optimization, and energetic contributions 
Nittinger, Eva , 2018
Link: http://nbn-resolving.de/..
 
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