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Current Opinion in Structural Biology
|
February 1, 2022
AI in 3D compound design
Thomas E Hadfield, Charlotte M Deane
Journal of Cheminformatics
|
September 19, 2023
Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding
Thomas E Hadfield, Jack Scantlebury, Charlotte M Deane
Chemical Science
|
December 9, 2021
Deep generative design with 3D pharmacophoric constraints
Fergus Imrie, Thomas E Hadfield, Anthony R Bradley, et al.
Journal of Chemical Information and Modeling
|
May 2, 2022
Incorporating Target-Specific Pharmacophoric Information into Deep Generative Models for Fragment Elaboration
Thomas E Hadfield, Fergus Imrie, Andy Merritt, et al.
Journal of Chemical Information and Modeling
|
May 11, 2023
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening
Jack Scantlebury, Lucy Vost, Anna Carbery, et al.
ACS Medicinal Chemistry Letters
|
April 16, 2025
Discovery of a Series of Covalent Ligands That Bind to Cys77 of the Von Hippel-Lindau Tumor Suppressor Protein (VHL)
Simon C C Lucas, Yong Xu, Sarah Hewitt, et al.
Journal of Medicinal Chemistry
|
June 25, 2024
Design of a Lead-Like Cysteine-Targeting Covalent Library and the Identification of Hits to Cys55 of Bfl-1
Simon C C Lucas, Alexander G Milbradt, J Henry Blackwell, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Current Opinion in Structural Biology
|
February 1, 2022
AI in 3D compound design
Thomas E Hadfield, Charlotte M Deane
Journal of Cheminformatics
|
September 19, 2023
Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding
Thomas E Hadfield, Jack Scantlebury, Charlotte M Deane
Chemical Science
|
December 9, 2021
Deep generative design with 3D pharmacophoric constraints
Fergus Imrie, Thomas E Hadfield, Anthony R Bradley, et al.
Journal of Chemical Information and Modeling
|
May 2, 2022
Incorporating Target-Specific Pharmacophoric Information into Deep Generative Models for Fragment Elaboration
Thomas E Hadfield, Fergus Imrie, Andy Merritt, et al.
Journal of Chemical Information and Modeling
|
May 11, 2023
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening
Jack Scantlebury, Lucy Vost, Anna Carbery, et al.
ACS Medicinal Chemistry Letters
|
April 16, 2025
Discovery of a Series of Covalent Ligands That Bind to Cys77 of the Von Hippel-Lindau Tumor Suppressor Protein (VHL)
Simon C C Lucas, Yong Xu, Sarah Hewitt, et al.
Journal of Medicinal Chemistry
|
June 25, 2024
Design of a Lead-Like Cysteine-Targeting Covalent Library and the Identification of Hits to Cys55 of Bfl-1
Simon C C Lucas, Alexander G Milbradt, J Henry Blackwell, et al.
Page
of 1