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Nature Computational Science
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March 6, 2026
Guiding molecular design with flow models
Andreas Luttens
Current Opinion in Structural Biology
|
June 7, 2024
Structure-based virtual screening of vast chemical space as a starting point for drug discovery
Jens Carlsson, Andreas Luttens
Journal of Medicinal Chemistry
|
December 18, 2019
Docking Finds GPCR Ligands in Dark Chemical Matter
Flavio Ballante, Axel Rudling, Alexey Zeifman, et al.
European Journal of Medicinal Chemistry
|
June 10, 2023
Structure-based virtual screening discovers potent and selective adenosine A<sub>1</sub> receptor antagonists
Pierre Matricon, Anh Tn Nguyen, Duc Duy Vo, et al.
Nature Protocols
|
December 10, 2021
Publisher Correction: A practical guide to large-scale docking
Brian J Bender, Stefan Gahbauer, Andreas Luttens, et al.
Nature Computational Science
|
March 14, 2025
Rapid traversal of vast chemical space using machine learning-guided docking screens
Andreas Luttens, Israel Cabeza de Vaca, Leonard Sparring, et al.
Angewandte Chemie (International Ed. in English)
|
March 13, 2023
Design of Drug Efficacy Guided by Free Energy Simulations of the β<sub>2</sub> -Adrenoceptor
Nicolas Panel, Duc Duy Vo, Nour Aldin Kahlous, et al.
Nature Protocols
|
September 25, 2021
A practical guide to large-scale docking
Brian J Bender, Stefan Gahbauer, Andreas Luttens, et al.
Journal of Medicinal Chemistry
|
January 26, 2023
Correction to "Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction"
Fabio Begnini, Stefan Geschwindner, Patrik Johansson, et al.
Journal of Medicinal Chemistry
|
February 2, 2022
Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction
Fabio Begnini, Stefan Geschwindner, Patrik Johansson, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Nature Computational Science
|
March 6, 2026
Guiding molecular design with flow models
Andreas Luttens
Current Opinion in Structural Biology
|
June 7, 2024
Structure-based virtual screening of vast chemical space as a starting point for drug discovery
Jens Carlsson, Andreas Luttens
Journal of Medicinal Chemistry
|
December 18, 2019
Docking Finds GPCR Ligands in Dark Chemical Matter
Flavio Ballante, Axel Rudling, Alexey Zeifman, et al.
European Journal of Medicinal Chemistry
|
June 10, 2023
Structure-based virtual screening discovers potent and selective adenosine A<sub>1</sub> receptor antagonists
Pierre Matricon, Anh Tn Nguyen, Duc Duy Vo, et al.
Nature Protocols
|
December 10, 2021
Publisher Correction: A practical guide to large-scale docking
Brian J Bender, Stefan Gahbauer, Andreas Luttens, et al.
Nature Computational Science
|
March 14, 2025
Rapid traversal of vast chemical space using machine learning-guided docking screens
Andreas Luttens, Israel Cabeza de Vaca, Leonard Sparring, et al.
Angewandte Chemie (International Ed. in English)
|
March 13, 2023
Design of Drug Efficacy Guided by Free Energy Simulations of the β<sub>2</sub> -Adrenoceptor
Nicolas Panel, Duc Duy Vo, Nour Aldin Kahlous, et al.
Nature Protocols
|
September 25, 2021
A practical guide to large-scale docking
Brian J Bender, Stefan Gahbauer, Andreas Luttens, et al.
Journal of Medicinal Chemistry
|
January 26, 2023
Correction to "Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction"
Fabio Begnini, Stefan Geschwindner, Patrik Johansson, et al.
Journal of Medicinal Chemistry
|
February 2, 2022
Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction
Fabio Begnini, Stefan Geschwindner, Patrik Johansson, et al.
Page
of 2