Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review by Rocco Meli, Garrett M. Morris, Philip C. Biggin

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Bayesian optimization for conformer generation by Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris

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Exploring QSAR models for activity-cliff prediction by Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris

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Understanding the genetics of viral drug resistance by integrating clinical data and mining of the scientific literature by An Goto, Raul Rodriguez-Esteban, Sebastian H. Scharf, Garrett M. Morris

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It is theoretically possible to avoid misfolding into non-covalent lasso entanglements using small molecule drugs by Yang Jiang, Charlotte M. Deane, Garrett M. Morris, Edward P. O’Brien

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Investigating the potential for a limited quantum speedup on protein lattice problems by Carlos Outeiral, Garrett M Morris, Jiye Shi, Martin Strahm, Simon C Benjamin, Charlotte M Deane

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Exploration of Piperidinols as Potential Antitubercular Agents by Areej Abuhammad, Elizabeth Fullam, Sanjib Bhakta, Angela J. Russell, Garrett M. Morris, Paul W. Finn, Edith Sim

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Discovery and pharmacophoric characterization of chemokine network inhibitors using phage-display, saturation mutagenesis and computational modelling by Serena Vales, Jhanna Kryukova, Soumyanetra Chandra, Gintare Smagurauskaite, Megan Payne, Charlie J. Clark, Katrin Hafner, Philomena Mburu, Stepan Denisov, Graham Davies, Carlos Outeiral, Charlotte M. Deane, Garrett M. Morris, Shoumo Bhattacharya

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