Paul W. Finn

16 papers B 1Journal 12Unranked 3
YearRankTypeTitle / Venue / Authors
2019 J jnl
Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening.
J. Chem. Inf. Model.
Jean-Paul Ebejer, Paul W. Finn, Wing Ki Wong, Charlotte M. Deane, Garrett M. Morris
2016 J jnl
Are the physicochemical properties of antibacterial compounds really different from other drugs?
J. Cheminformatics
Jean-Paul Ebejer, Michael H. Charlton, Paul W. Finn
2015 — conf
Structure-guided selection of Specificity Determining Positions in the human kinome.
BIBM
Mark Moll, Paul W. Finn, Lydia E. Kavraki
2014 J jnl
Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods.
J. Chem. Inf. Model.
Gianluigi Lauro, Noelia Ferruz, Simone Fulle, Matt J. Harvey, Paul W. Finn, Gianni De Fabritiis
2013 J jnl
Combinatorial Clustering of Residue Position Subsets Predicts Inhibitor Affinity across the Human Kinome.
PLoS Comput. Biol.
Drew H. Bryant, Mark Moll, Paul W. Finn, Lydia E. Kavraki
2013 J jnl
Molecular Determinants of Binding to the
J. Chem. Inf. Model.
Simone Fulle, Chrislaine Withers-Martinez, Michael J. Blackman, Garrett M. Morris, Paul W. Finn
2012 J jnl
Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening.
J. Cheminformatics
Simone Fulle, M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris
2011 J jnl
Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension.
J. Comput. Aided Mol. Des.
M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris, W. Graham Richards
2010 J jnl
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics.
J. Comput. Aided Mol. Des.
M. Stuart Armstrong, Garrett M. Morris, Paul W. Finn, Raman Sharma, Loris Moretti, Richard I. Cooper, W. Graham Richards
2000 J jnl
A randomized kinematics-based approach to pharmacophore-constrained conformational search and database screening.
J. Comput. Chem.
Steven M. LaValle, Paul W. Finn, Lydia E. Kavraki, Jean-Claude Latombe
1999 J jnl
Computational Approaches to Drug Design.
Algorithmica
Paul W. Finn, Lydia E. Kavraki
1999 B conf
Efficient database screening for rational drug design using pharmacophore-constrained conformational search.
RECOMB
Steven M. LaValle, Paul W. Finn, Lydia E. Kavraki, Jean-Claude Latombe
1998 J jnl
Pharmacophore Discovery Using the Inductive Logic Programming System PROGOL.
Mach. Learn.
Paul W. Finn, Stephen H. Muggleton, David Page, Ashwin Srinivasan
1998 J jnl
RAPID: Randomized pharmacophore identification for drug design.
Comput. Geom.
Paul W. Finn, Lydia E. Kavraki, Jean-Claude Latombe, Rajeev Motwani, Christian R. Shelton, Suresh Venkatasubramanian, Andrew Chi-Chih Yao
1997 — conf
RAPID: Randomized Pharmacophore Identification for Drug Design.
SCG
Paul W. Finn, Lydia E. Kavraki, Jean-Claude Latombe, Rajeev Motwani, Christian R. Shelton, Suresh Venkatasubramanian, Andrew Chi-Chih Yao
1996 — conf
Geometric Manipulation of Flexible Ligands.
WACG
Paul W. Finn, Dan Halperin, Lydia E. Kavraki, Jean-Claude Latombe, Rajeev Motwani, Christian R. Shelton, Suresh Venkatasubramanian