Frank von Delft
Orcid: 0000-0003-0378-0017
According to our database1,
Frank von Delft
authored at least 8 papers
between 2015 and 2024.
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Bibliography
2024
Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures.
J. Cheminformatics, December, 2024
2023
Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search.
J. Chem. Inf. Model., June, 2023
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening.
J. Chem. Inf. Model., May, 2023
2022
Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins.
J. Chem. Inf. Model., 2022
Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease.
J. Cheminformatics, 2022
SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction.
J. Comput. Aided Mol. Des., 2022
2020
Data Set Augmentation Allows Deep Learning-Based Virtual Screening to Better Generalize to Unseen Target Classes and Highlight Important Binding Interactions.
J. Chem. Inf. Model., 2020
2015
J. Comput. Aided Mol. Des., 2015