Emma Cattermole
University of Oxford
4 Papers
31 Citations
Emma Cattermole is an academic researcher from University of Oxford. The author has contributed to research in topics: Computer science & Context (language use). The author has an hindex of 2, co-authored 4 publications.
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Papers
Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitor Therapeutics
Hagit Achdout,A. Aimon,Elad Bar-David,Haim Barr,Amir Ben-Shmuel,Jim Bennett,Boby Ml,Borden B,Gregory R. Bowman,Juliane Brun,Bvnbs S,Mark Daniel Calmiano,Anna Carbery,Emma Cattermole,Chernyshenko E,John D. Chodera,Austin Clyde,Joseph E. Coffland,Galit Cohen,Jason C. Cole,Alessandro Contini,Cox L,Cvitkovic M,Alexandre Dias,Kim Donckers,Dotson Dl,Alice Douangamath,Shirly Duberstein,Dudgeon T,Louise Dunnett,Peter Eastman,Noam Erez,Eyermann Cj,Michael Fairhead,Fate G,D. Fearon,Oleg Fedorov,Matteo P. Ferla,R.S. Fernandes,Ferrins L,Richard Foster,Holly Foster,Ronen Gabizon,Adolfo García-Sastre,V.O. Gawriljuk,P. Gehrtz,Carina Gileadi,Charline Giroud,William G. Glass,Robert C. Glen,Itai Glinert,Andre S. Godoy,Marian V. Gorichko,T.J. Gorrie-Stone,Griffen Ej,Hart Sh,Jag Paul Heer,Henry M,Mark A. Hill,Horrell S,Matthew F. D. Hurley,Tomer Israely,Jajack A,Eric Jnoff,Dirk Jochmans,Tobias John,Steven De Jonghe,Anastassia L. Kantsadi,Peter W. Kenny,J. L. Kiappes,Koekemoer L,Kovar B,T. Krojer,Alpha A. Lee,Lefker Ba,Haim Levy,Nir London,Petra Lukacik,Hannah E. Bruce Macdonald,MacLean B,Tika R. Malla,Matviiuk T,William McCorkindale,McGovern Bl,Sharon Melamed,Oleg M. Michurin,Mikolajek H,Milne Bf,Morris A,Garrett M. Morris,Morwitzer Mj,Moustakas D,A.M. Nakamura,Jose Brandao Neto,Johan Neyts,Nguyen L,G.D. Noske,Oleinikovas,Glaucius Oliva,Gijs J. Overheul,David R. Owen,Psenak,Pai R,Pan J,Nir Paran,Benjamin Ian Perry,Pingle M,Pinjari J,Boaz Politi,A.J. Powell,Puni R,Victor L. Rangel,Rambabu N. Reddi,Reid Sp,Efrat Resnick,Ripka Eg,Matthew C. Robinson,Robinson Rp,Rodriguez-Guerra J,Rosales R,Rufa D,Christopher J. Schofield,Shafeev M,Shaikh A,Jiye Shi,Khriesto A. Shurrush,Sukrit Singh,Assa Sittner,R. Skyner,Adam Smalley,Smilova,Solmesky Lj,John Spencer,Claire Strain-Damerell,Swamy,Hadas Tamir,Tennant R,Thompson W,Andrew Thompson,Tomasio S,Anthony Tumber,Ioannis Vakonakis,van Rij Rp,Laura Vangeel,Finny S. Varghese,Vaschetto M,Einat B. Vitner,Voelz,Andrea Volkamer,von Delft F,von Delft A,Martin A. Walsh,Ward W,Charlie Weatherall,Shay Weiss,White Km,Wild Cf,Wittmann M,Nicholas A. Wright,Yfat Yahalom-Ronen,Zaidmann D,Zidane H,Nicole Zitzmann +162 more
TL;DR: The COVID Moonshot as discussed by the authors was a fully open-science structure-enabled drug discovery campaign targeting the SARS-CoV-2 main protease, which leveraged crowdsourcing, high throughput structural biology, machine learning, and exascale molecular simulations.
COVID Moonshot: Open Science Discovery of SARS-CoV-2 Main Protease Inhibitors by Combining Crowdsourcing, High-Throughput Experiments, Computational Simulations, and Machine Learning
Hagit Achdout,A. Aimon,Elad Bar-David,Haim Barr,Amir Ben-Shmuel,Jim Bennett,Melissa L Bobby,Juliane Brun,Sarma Bvnbs,Mark Daniel Calmiano,Anna Carbery,Emma Cattermole,John D. Chodera,Austin Clyde,Joseph E. Coffland,Galit Cohen,Jason C. Cole,Alessandro Contini,Lisa Cox,Milan Cvitkovic,Alex Dias,Alice Douangamath,Shirly Duberstein,Tim Dudgeon,Louise Dunnett,Peter K. Eastman,Noam Erez,Michael Fairhead,D. Fearon,Oleg Fedorov,Matteo P. Ferla,Holly Foster,Richard Foster,Ronen Gabizon,P. Gehrtz,Carina Gileadi,Charline Giroud,William G. Glass,Robert C. Glen,Itai Glinert,Marian V. Gorichko,T.J. Gorrie-Stone,Edward J Griffen,Jag Paul Heer,Michelle L. Hill,Sam Horrell,Matthew F. D. Hurley,Tomer Israely,Andrew Jajack,Eric Jnoff,Tobias John,Anastassia L. Kantsadi,Peter W. Kenny,J. L. Kiappes,Lizbe Koekemoer,Boris Kovar,T. Krojer,Alpha A. Lee,Bruce A. Lefker,Haim Levy,Nir London,Petra Lukacik,Hannah E. Bruce Macdonald,Beth MacLean,Tika R. Malla,Tatiana Matviiuk,Willam McCorkindale,Sharon Melamed,Oleg M. Michurin,Halina Mikolajek,Aaron Morris,Garrett M. Morris,Melody Jane Morwitzer,Demetri Moustakas,Jose Brandao Neto,Vladas Oleinikovas,Gijs J. Overheul,David Owen,Ruby Pai,Jin Pan,Nir Paran,Benjamin Ian Perry,Maneesh Pingle,Jakir Pinjari,Boaz Politi,Ailsa Powell,Vladimir Psenak,Reut Puni,Victor L. Rangel,Rambabu N. Reddi,St Patrick Reid,Efrat Resnick,Matthew C. Robinson,Ralph P. Robinson,Dominic Rufa,Christopher J. Schofield,Aarif Shaikh,Jiye Shi,Khriesto A. Shurrush,Assa Sittner,R. Skyner,Adam Smalley,Mihaela D. Smilova,John Spencer,Claire Strain-Damerell,Vishwanath Swamy,Hadas Tamir,Rachael Tennant,Andrew Thompson,Warren Thompson,Susana Tomasio,Anthony Tumber,Ioannis Vakonakis,Ronald P. van Rij,Finny S. Varghese,Mariana Vaschetto,Einat B. Vitner,Vincent A. Voelz,Annette von Delft,Frank von Delft,Martin Walsh,Walter Ward,Charlie Weatherall,Shay Weiss,Conor Francis Wild,Matthew Wittmann,Nathan Wright,Yfat Yahalom-Ronen,Daniel Zaidmann,Hadeer Zidane,Nicole Zitzmann +130 more
TL;DR: This manuscript describes the methodologies leading to both covalent and non-covalent inhibitors displaying protease IC50 values under 150 nM and viral inhibition under 5 uM in multiple different viral replication assays.
A COVID Moonshot: assessment of ligand binding to the SARS-CoV-2 main protease by saturation transfer difference NMR spectroscopy
Anastassia L. Kantsadi,Emma Cattermole,Minos-Timotheos Matsoukas,Georgios A. Spyroulias,Ioannis Vakonakis +4 more
TL;DR: In this article, the authors used saturation transfer difference nuclear magnetic resonance (STD-NMR) spectroscopy to assess the binding of putative Mpro ligands to the viral protease.
A COVID moonshot: assessment of ligand binding to the SARS-CoV-2 main protease by saturation transfer difference NMR spectroscopy.
Anastassia L. Kantsadi,Emma Cattermole,Minos-Timotheos Matsoukas,Georgios A. Spyroulias,Ioannis Vakonakis +4 more
TL;DR: In this article, the authors used saturation transfer difference nuclear magnetic resonance (STD-NMR) spectroscopy to assess the binding of putative Mpro ligands to the viral protease, including molecules identified by crystallographic fragment screening and novel compounds designed as Mpro inhibitors.