Frank von Delft

According to our database, Frank von Delft authored at least 7 papers between 2015 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures.

Anna Carbery, Martin Buttenschoen, Rachael Skyner, Frank von Delft, Charlotte M. Deane

J. Cheminformatics, December, 2024

2023

Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search.

Stephanie Wills, Ruben Sanchez-Garcia, Tim Dudgeon, Stephen D. Roughley, Andy Merritt, Roderick E. Hubbard, James Davidson, Frank von Delft, Charlotte M. Deane

J. Chem. Inf. Model., June, 2023

2022

Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins.

Mihaela D. Smilova, Peter R. Curran, Chris J. Radoux, Frank von Delft, Jason C. Cole, Anthony R. Bradley, Brian D. Marsden

J. Chem. Inf. Model., 2022

Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease.

Simon Bray, Tim Dudgeon, Rachael Skyner, Rolf Backofen, Björn A. Grüning, Frank von Delft

J. Cheminformatics, 2022

SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction.

Harold Grosjean, Mehtap Isik, Anthony Aimon, David L. Mobley, John D. Chodera, Frank von Delft, Philip C. Biggin

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.

Jack Scantlebury, Nathan Brown, Frank von Delft, Charlotte M. Deane

J. Chem. Inf. Model., 2020

2015

WONKA: objective novel complex analysis for ensembles of protein-ligand structures.

Anthony R. Bradley, Ian D. Wall, Frank von Delft, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden

J. Comput. Aided Mol. Des., 2015