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Molecules (Basel, Switzerland)
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January 21, 2022
Approach for the Design of Covalent Protein Kinase Inhibitors via Focused Deep Generative Modeling
Atsushi Yoshimori, Filip Miljković, Jürgen Bajorath
ACS Omega
|
December 20, 2021
Impact of Artificial Intelligence on Compound Discovery, Design, and Synthesis
Filip Miljković, Raquel Rodríguez-Pérez, Jürgen Bajorath
Annual Review of Biomedical Data Science
|
April 20, 2022
Machine Learning in Chemoinformatics and Medicinal Chemistry
Raquel Rodríguez-Pérez, Filip Miljković, Jürgen Bajorath
Journal of Medicinal Chemistry
|
August 31, 2019
Machine Learning Models for Accurate Prediction of Kinase Inhibitors with Different Binding Modes
Filip Miljković, Raquel Rodríguez-Pérez, Jürgen Bajorath
Journal of Computer-Aided Molecular Design
|
May 26, 2022
Multi-task convolutional neural networks for predicting in vitro clearance endpoints from molecular images
Andrés Martínez Mora, Vigneshwari Subramanian, Filip Miljković
Journal of Cheminformatics
|
January 12, 2021
Assessing the information content of structural and protein-ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning
Raquel Rodríguez-Pérez, Filip Miljković, Jürgen Bajorath
European Journal of Medicinal Chemistry
|
February 4, 2021
Systematic comparison of competitive and allosteric kinase inhibitors reveals common structural characteristics
Huabin Hu, Oliver Laufkötter, Filip Miljković, et al.
Molecular Pharmaceutics
|
June 18, 2026
Computational Identification of Active Drug Metabolites for Human Protein Targets
Sofia Larsson, Rocío Mercado, Susanne Winiwarter, et al.
Journal of Medicinal Chemistry
|
January 21, 2021
Structure- and Similarity-Based Survey of Allosteric Kinase Inhibitors, Activators, and Closely Related Compounds
Oliver Laufkötter, Huabin Hu, Filip Miljković, et al.
Data in Brief
|
February 19, 2021
Data set of competitive and allosteric protein kinase inhibitors confirmed by X-ray crystallography
Huabin Hu, Oliver Laufkötter, Filip Miljković, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 35) with videos related to
Sort By:
Page
of 4
Molecules (Basel, Switzerland)
|
January 21, 2022
Approach for the Design of Covalent Protein Kinase Inhibitors via Focused Deep Generative Modeling
Atsushi Yoshimori, Filip Miljković, Jürgen Bajorath
ACS Omega
|
December 20, 2021
Impact of Artificial Intelligence on Compound Discovery, Design, and Synthesis
Filip Miljković, Raquel Rodríguez-Pérez, Jürgen Bajorath
Annual Review of Biomedical Data Science
|
April 20, 2022
Machine Learning in Chemoinformatics and Medicinal Chemistry
Raquel Rodríguez-Pérez, Filip Miljković, Jürgen Bajorath
Journal of Medicinal Chemistry
|
August 31, 2019
Machine Learning Models for Accurate Prediction of Kinase Inhibitors with Different Binding Modes
Filip Miljković, Raquel Rodríguez-Pérez, Jürgen Bajorath
Journal of Computer-Aided Molecular Design
|
May 26, 2022
Multi-task convolutional neural networks for predicting in vitro clearance endpoints from molecular images
Andrés Martínez Mora, Vigneshwari Subramanian, Filip Miljković
Journal of Cheminformatics
|
January 12, 2021
Assessing the information content of structural and protein-ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning
Raquel Rodríguez-Pérez, Filip Miljković, Jürgen Bajorath
European Journal of Medicinal Chemistry
|
February 4, 2021
Systematic comparison of competitive and allosteric kinase inhibitors reveals common structural characteristics
Huabin Hu, Oliver Laufkötter, Filip Miljković, et al.
Molecular Pharmaceutics
|
June 18, 2026
Computational Identification of Active Drug Metabolites for Human Protein Targets
Sofia Larsson, Rocío Mercado, Susanne Winiwarter, et al.
Journal of Medicinal Chemistry
|
January 21, 2021
Structure- and Similarity-Based Survey of Allosteric Kinase Inhibitors, Activators, and Closely Related Compounds
Oliver Laufkötter, Huabin Hu, Filip Miljković, et al.
Data in Brief
|
February 19, 2021
Data set of competitive and allosteric protein kinase inhibitors confirmed by X-ray crystallography
Huabin Hu, Oliver Laufkötter, Filip Miljković, et al.
Page
of 4