Geometric Manipulation of Flexible Ligands. - Paul W. Finn; Dan Halperin; Lydia E. Kavraki; Jean-Claude Latombe; Rajeev Motwani 001; Christian R. Shelton; Suresh Venkatasubramanian (WACG, 1996)

RAPID: Randomized pharmacophore identification for drug design. - Paul W. Finn; Lydia E. Kavraki; Jean-Claude Latombe; Rajeev Motwani 001; Christian R. Shelton; Suresh Venkatasubramanian; Andrew Chi-Chih Yao (Comput. Geom., 1998)

Pharmacophore Discovery Using the Inductive Logic Programming System PROGOL. - Paul W. Finn; Stephen H. Muggleton; David Page; Ashwin Srinivasan 001 (Mach. Learn., 1998)

Efficient database screening for rational drug design using pharmacophore-constrained conformational search. - Steven M. LaValle; Paul W. Finn; Lydia E. Kavraki; Jean-Claude Latombe (RECOMB, 1999)

Computational Approaches to Drug Design. - Paul W. Finn; Lydia E. Kavraki (Algorithmica, 1999)

A randomized kinematics-based approach to pharmacophore-constrained conformational search and database screening. - Steven M. LaValle; Paul W. Finn; Lydia E. Kavraki; Jean-Claude Latombe (J. Comput. Chem., 2000)

ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics. - M. Stuart Armstrong; Garrett M. Morris; Paul W. Finn; Raman Sharma; Loris Moretti; Richard I. Cooper; W. Graham Richards (J. Comput. Aided Mol. Des., 2010)

Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension. - M. Stuart Armstrong; Paul W. Finn; Garrett M. Morris; W. Graham Richards (J. Comput. Aided Mol. Des., 2011)

Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening. - Simone Fulle; M. Stuart Armstrong; Paul W. Finn; Garrett M. Morris (J. Cheminformatics, 2012)

Molecular Determinants of Binding to the Plasmodium Subtilisin-like Protease 1. - Simone Fulle; Chrislaine Withers-Martinez; Michael J. Blackman; Garrett M. Morris; Paul W. Finn (J. Chem. Inf. Model., 2013)

Combinatorial Clustering of Residue Position Subsets Predicts Inhibitor Affinity across the Human Kinome. - Drew H. Bryant; Mark Moll; Paul W. Finn; Lydia E. Kavraki (PLoS Comput. Biol., 2013)

Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods. - Gianluigi Lauro; Noelia Ferruz; Simone Fulle; Matt J. Harvey; Paul W. Finn; Gianni De Fabritiis (J. Chem. Inf. Model., 2014)

Structure-guided selection of Specificity Determining Positions in the human kinome. - Mark Moll; Paul W. Finn; Lydia E. Kavraki (BIBM, 2015)

Are the physicochemical properties of antibacterial compounds really different from other drugs? - Jean-Paul Ebejer; Michael H. Charlton; Paul W. Finn (J. Cheminformatics, 2016)

Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening. - Jean-Paul Ebejer; Paul W. Finn; Wing Ki Wong; Charlotte M. Deane; Garrett M. Morris (J. Chem. Inf. Model., 2019)