Leach, Andrew R.

Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

Jones, G., Willett, P., Glen, R. C., Leach, A. R., & Taylor, R. (1997) · Journal of Molecular Biology

Computational Drug Discovery MethodsProtein Structure and Dynamics

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ChEMBL: towards direct deposition of bioassay data

Mendez, D., Gaulton, A., Bento, A. P., Chambers, J., De Veij, M., Félix, E., Magariños, M. P., Mosquera, J. F., Mutowo, P., Nowotka, M., et al. (2019) · Nucleic Acids Research

Computational Drug Discovery MethodsResearch Data Management Practices

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An analysis of the attrition of drug candidates from four major pharmaceutical companies

Waring, M. J., Arrowsmith, J., Leach, A. R., Leeson, P. D., Mandrell, S., Owen, R. M., Pairaudeau, G., Pennie, W. D., Pickett, S. D., Wang, J., et al. (2015) · Nature Reviews Drug Discovery

Computational Drug Discovery MethodsPharmaceutical studies and practices

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Unexplored therapeutic opportunities in the human genome

Oprea, T. I., Bologa, C. G., Brunak, S., Campbell, A., Gan, G. N., Gaulton, A., Gomez, S. M., Guha, R., Hersey, A., Holmes, J., et al. (2018) · Nature Reviews Drug Discovery

Computational Drug Discovery MethodsBioinformatics and Genomic Networks

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The PROTACtable genome

Schneider, M., Radoux, C. J., Hercules, A., Ochoa, D., Dunham, I., Zalmas, L.-P., Hessler, G., Ruf, S., Shanmugasundaram, V., Hann, M. M., et al. (2021) · Nature Reviews Drug Discovery

Protein Degradation and InhibitorsComputational Drug Discovery Methods

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CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding

Ackloo, S., Al-awar, R., Amaro, R. E., Arrowsmith, C. H., Azevedo, H., Batey, R. A., Bengio, Y., Betz, U. A. K., Bologa, C. G., Chodera, J. D., et al. (2022) · Nature Reviews Chemistry

Computational Drug Discovery MethodsProtein Degradation and Inhibitors

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RP3Net: a deep learning model for predicting recombinant protein production in Escherichia coli

Tankhilevich, E., Martinez Cuesta, S., Barrett, I., Berg, C., Holmberg Schiavone, L., & Leach, A. R. (2025) · Bioinformatics

Machine Learning in BioinformaticsMicrobial Metabolic Engineering and Bioproduction

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