Frank von Delft
University of Oxford
H-index: 53
Europe-United Kingdom
Top articles of Frank von Delft
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni | Scientific Reports | Lauro Ribeiro de Souza Neto Bogar Omar Montoya José Brandão-Neto Anil Verma Sebastian Bowyer | 2024/1/18 |
A selection of Golden Gate vectors to simplify recombinant protein production in Escherichia coli | bioRxiv | Michael Fairhead Lizbe Koekemoer Eleanor Williams Frank von Delft | 2024 |
Crystallographic fragment screen of Enterovirus D68 3C protease and iterative design of lead-like compounds using structure-guided expansions | bioRxiv | Ryan M Lithgo Charlie WE Tomlinson Michael Fairhead Max Winokan Warren Thompson | 2024 |
A community effort in SARS‐CoV‐2 drug discovery | Molecular Informatics | Johannes Schimunek Philipp Seidl Katarina Elez Tim Hempel Tuan Le | 2024/1 |
Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals | bioRxiv | Ryan M Lithgo Charlie WE Tomlinson Michael Fairhead Max Winokan Warren Thompson | 2024 |
Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures | Journal of Cheminformatics | Anna Carbery Martin Buttenschoen Rachael Skyner Frank von Delft Charlotte M Deane | 2024/3/14 |
High-throughput crystallographic fragment screening of Zika virus NS3 Helicase | Acta Crystallographica Section A: Foundations and Advances | Alexander Metz F Huschmann Johannes Schiebel Utiye Mueller Manfred Weiss | 2018/8/22 |
Fragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding–based methodology | Matteo P Ferla Rubén Sánchez-García Rachael E Skyner Stefan Gahbauer Jenny C Taylor | 2024/2/26 | |
Crystallographic fragment screening delivers diverse chemical scaffolds for Zika virus NS2B-NS3 protease inhibitor development | bioRxiv | Xiaomin Ni Andre Schutzer de Godoy Peter George Marples Michael Fairhead Blake H Balcomb | 2024 |
Efficient large-scale exploration of fragment hit progression by exploiting binding-site purification of actives (B-SPA) through combining multi-step array synthesis and HT … | Harold Grosjean Anthony Aimon Storm Hassell-Hart Warren Thompson Lizbé Koekemoer | 2024/2/9 | |
A small step toward generalizability: training a machine learning scoring function for structure-based virtual screening | Journal of Chemical Information and Modeling | Jack Scantlebury Lucy Vost Anna Carbery Thomas E Hadfield Oliver M Turnbull | 2023/5/11 |
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2 | Proceedings of the National Academy of Sciences | Stefan Gahbauer Galen J Correy Marion Schuller Matteo P Ferla Yagmur Umay Doruk | 2023/1/10 |
Illuminating the druggable genome through patent bioactivity data | PeerJ | Maria P Magariños Anna Gaulton Eloy Félix Tevfik Kiziloren Ricardo Arcila | 2023/5/2 |
Targeting LC3/GABARAP for degrader development and autophagy modulation | bioRxiv | Martin P Schwalm Johannes Dopfer Adarsh Kumar Francesco A Greco Nicolas Bauer | 2023 |
A community effort to discover small molecule SARS-CoV-2 inhibitors | Johannes Schimunek Philipp Seidl Katarina Elez Tim Hempel Tuan Le | 2023/4/7 | |
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors | Science | Melissa L Boby Daren Fearon Matteo Ferla Mihajlo Filep Lizbé Koekemoer | 2023/11/10 |
CoPriNet: graph neural networks provide accurate and rapid compound price prediction for molecule prioritisation | Digital Discovery | Ruben Sanchez-Garcia Dávid Havasi Gergely Takács Matthew C Robinson Frank von Delft | 2023 |
Turning high-throughput structural biology into predictive inhibitor design | Proceedings of the National Academy of Sciences | Kadi L Saar William McCorkindale Daren Fearon Melissa Boby Haim Barr | 2023/3/14 |
Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease | Nucleic Acids Research | Andre Schutzer Godoy Aline Minalli Nakamura Alice Douangamath Yun Song Gabriela Dias Noske | 2023/6/9 |
Full wwPDB X-ray Structure Validation Report i | Y Kim KH Kim | 2023 |
Co-Authors
