Classification and analysis of a large collection of in vivo bioassay descriptions.

by Magdalena Zwierzyna, John P Overington
Published 2017-07-01

Global analysis of small molecule binding to related protein targets.

by Felix A Kruger, John P Overington
Published 2012-01-01

ChEMBL Beaker: A Lightweight Web Framework Providing Robust and Extensible Cheminformatics Services

by Michał Nowotka, Mark Davies, George Papadatos, John P. Overington
Published 2014-11-01

Chemical, target, and bioactive properties of allosteric modulation.

by Gerard J P van Westen, Anna Gaulton, John P Overington
Published 2014-04-01

Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach

by Grace Mugumbate, Grace Mugumbate, Vitor Mendes, Michal Blaszczyk, Mohamad Sabbah, George Papadatos, Joel Lelievre, Lluis Ballell, David Barros, Chris Abell, Tom L. Blundell, John P. Overington, John P. Overington
Published 2017-09-01

MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data

by Mark Davies, Michał Nowotka, George Papadatos, Francis Atkinson, Gerard J. P. van Westen, Nathan Dedman, Rodrigo Ochoa, John P. Overington
Published 2014-09-01

Target prediction for an open access set of compounds active against Mycobacterium tuberculosis.

by Francisco Martínez-Jiménez, George Papadatos, Lun Yang, Iain M Wallace, Vinod Kumar, Ursula Pieper, Andrej Sali, James R Brown, John P Overington, Marc A Marti-Renom
Published 2013-01-01

Mycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validation.

by Grace Mugumbate, Katherine A Abrahams, Jonathan A G Cox, George Papadatos, Gerard van Westen, Joël Lelièvre, Szymon T Calus, Nicholas J Loman, Lluis Ballell, David Barros, John P Overington, Gurdyal S Besra
Published 2015-01-01

Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery.

by María Jose Rebollo-Lopez, Joël Lelièvre, Daniel Alvarez-Gomez, Julia Castro-Pichel, Francisco Martínez-Jiménez, George Papadatos, Vinod Kumar, Gonzalo Colmenarejo, Grace Mugumbate, Mark Hurle, Vanessa Barroso, Rob J Young, María Martinez-Hoyos, Rubén González del Río, Robert H Bates, Eva Maria Lopez-Roman, Alfonso Mendoza-Losana, James R Brown, Emilio Alvarez-Ruiz, Marc A Marti-Renom, John P Overington, Nicholas Cammack, Lluís Ballell, David Barros-Aguire
Published 2015-01-01

Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles

by Alice E. Williamson, Paul M. Ylioja, Murray N. Robertson, Yevgeniya Antonova-Koch, Vicky Avery, Jonathan B. Baell, Harikrishna Batchu, Sanjay Batra, Jeremy N. Burrows, Soumya Bhattacharyya, Felix Calderon, Susan A. Charman, Julie Clark, Benigno Crespo, Matin Dean, Stefan L. Debbert, Michael Delves, Adelaide S. M. Dennis, Frederik Deroose, Sandra Duffy, Sabine Fletcher, Guri Giaever, Irene Hallyburton, Francisco-Javier Gamo, Marinella Gebbia, R. Kiplin Guy, Zoe Hungerford, Kiaran Kirk, Maria J. Lafuente-Monasterio, Anna Lee, Stephan Meister, Corey Nislow, John P. Overington, George Papadatos, Luc Patiny, James Pham, Stuart A. Ralph, Andrea Ruecker, Eileen Ryan, Christopher Southan, Kumkum Srivastava, Chris Swain, Matthew J. Tarnowski, Patrick Thomson, Peter Turner, Iain M. Wallace, Timothy N. C. Wells, Karen White, Laura White, Paul Willis, Elizabeth A. Winzeler, Sergio Wittlin, Matthew H. Todd
Published 2016-09-01