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Paul W. Finn
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2010 – 2019
- 2019
- [j12]Jean-Paul Ebejer
, Paul W. Finn, Wing Ki Wong
, Charlotte M. Deane
, Garrett M. Morris
:
Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening. J. Chem. Inf. Model. 59(6): 2600-2616 (2019) - 2016
- [j11]Jean-Paul Ebejer
, Michael H. Charlton, Paul W. Finn:
Are the physicochemical properties of antibacterial compounds really different from other drugs? J. Cheminformatics 8(1): 30:1-30:9 (2016) - 2015
- [c4]Mark Moll
, Paul W. Finn, Lydia E. Kavraki
:
Structure-guided selection of Specificity Determining Positions in the human kinome. BIBM 2015: 21-28 - 2014
- [j10]Gianluigi Lauro, Noelia Ferruz
, Simone Fulle, Matt J. Harvey
, Paul W. Finn, Gianni De Fabritiis:
Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods. J. Chem. Inf. Model. 54(8): 2185-2189 (2014) - 2013
- [j9]Simone Fulle, Chrislaine Withers-Martinez, Michael J. Blackman, Garrett M. Morris
, Paul W. Finn:
Molecular Determinants of Binding to the Plasmodium Subtilisin-like Protease 1. J. Chem. Inf. Model. 53(3): 573-583 (2013) - [j8]Drew H. Bryant, Mark Moll
, Paul W. Finn, Lydia E. Kavraki
:
Combinatorial Clustering of Residue Position Subsets Predicts Inhibitor Affinity across the Human Kinome. PLoS Comput. Biol. 9(6) (2013) - 2012
- [j7]Simone Fulle, M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris:
Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening. J. Cheminformatics 4(S-1): 7 (2012) - 2011
- [j6]M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris
, W. Graham Richards:
Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension. J. Comput. Aided Mol. Des. 25(8): 785-790 (2011) - 2010
- [j5]M. Stuart Armstrong, Garrett M. Morris
, Paul W. Finn, Raman Sharma, Loris Moretti, Richard I. Cooper, W. Graham Richards:
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics. J. Comput. Aided Mol. Des. 24(9): 789-801 (2010)
2000 – 2009
- 2000
- [j4]Steven M. LaValle, Paul W. Finn, Lydia E. Kavraki
, Jean-Claude Latombe:
A randomized kinematics-based approach to pharmacophore-constrained conformational search and database screening. J. Comput. Chem. 21(9): 731-747 (2000)
1990 – 1999
- 1999
- [j3]Paul W. Finn, Lydia E. Kavraki:
Computational Approaches to Drug Design. Algorithmica 25(2-3): 347-371 (1999) - [c3]Steven M. LaValle, Paul W. Finn, Lydia E. Kavraki, Jean-Claude Latombe:
Efficient database screening for rational drug design using pharmacophore-constrained conformational search. RECOMB 1999: 250-260 - 1998
- [j2]Paul W. Finn, Lydia E. Kavraki
, Jean-Claude Latombe, Rajeev Motwani, Christian R. Shelton
, Suresh Venkatasubramanian
, Andrew Chi-Chih Yao:
RAPID: Randomized pharmacophore identification for drug design. Comput. Geom. 10(4): 263-272 (1998) - [j1]Paul W. Finn, Stephen H. Muggleton, David Page, Ashwin Srinivasan:
Pharmacophore Discovery Using the Inductive Logic Programming System PROGOL. Mach. Learn. 30(2-3): 241-270 (1998) - 1997
- [c2]Paul W. Finn, Lydia E. Kavraki, Jean-Claude Latombe, Rajeev Motwani, Christian R. Shelton, Suresh Venkatasubramanian, Andrew Chi-Chih Yao:
RAPID: Randomized Pharmacophore Identification for Drug Design. SCG 1997: 324-333 - 1996
- [c1]Paul W. Finn, Dan Halperin, Lydia E. Kavraki, Jean-Claude Latombe, Rajeev Motwani, Christian R. Shelton, Suresh Venkatasubramanian
:
Geometric Manipulation of Flexible Ligands. WACG 1996: 67-78
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