Paul W. Finn

According to our database1, Paul W. Finn authored at least 15 papers between 1996 and 2019.

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Bibliography

2019
Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening.
J. Chem. Inf. Model., 2019

2016
Are the physicochemical properties of antibacterial compounds really different from other drugs?
J. Cheminformatics, 2016

2015
Structure-guided selection of Specificity Determining Positions in the human kinome.
Proceedings of the 2015 IEEE International Conference on Bioinformatics and Biomedicine, 2015

2014
Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods.
J. Chem. Inf. Model., 2014

2013
Combinatorial Clustering of Residue Position Subsets Predicts Inhibitor Affinity across the Human Kinome.
PLoS Comput. Biol., 2013

Molecular Determinants of Binding to the <i>Plasmodium</i> Subtilisin-like Protease 1.
J. Chem. Inf. Model., 2013

2012
Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening.
J. Cheminformatics, 2012

2011
Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension.
J. Comput. Aided Mol. Des., 2011

2010
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics.
J. Comput. Aided Mol. Des., 2010

2000
A randomized kinematics-based approach to pharmacophore-constrained conformational search and database screening.
J. Comput. Chem., 2000

1999
Computational Approaches to Drug Design.
Algorithmica, 1999

Efficient database screening for rational drug design using pharmacophore-constrained conformational search.
Proceedings of the Third Annual International Conference on Research in Computational Molecular Biology, 1999

1998
Pharmacophore Discovery Using the Inductive Logic Programming System PROGOL.
Mach. Learn., 1998

RAPID: Randomized pharmacophore identification for drug design.
Comput. Geom., 1998

1996
Geometric Manipulation of Flexible Ligands.
Proceedings of the Applied Computational Geormetry, 1996


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