Gaia V. Paolini

Quantifying the chemical beauty of drugs

G. Richard Bickerton, Gaia V. Paolini, Jérémy Besnard et al. · Nature Chemistry · 2012 · 2.3K citations

Pharmacy, Medicinal Chemistry, Pharmaceutical Analysis +12

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes

Matthew Eldridge, Christopher W. Murray, T.R. Auton et al. · Journal of Computer-Aided Molecular Design · 1997 · 1.7K citations

Pharmacy, Bioinformatics, Medicinal Chemistry +12

Global mapping of pharmacological space

Gaia V. Paolini, Richard H B Shapland, Willem P. van Hoorn et al. · Nature Biotechnology · 2006 · 818 citations

Pharmacy, Pharmacology, Systems Pharmacology +5

Simulation of site-site soft-core liquid crystal models

Gaia V. Paolini, Giovanni Ciccotti, Mauro Ferrario · Molecular Physics · 1993 · 40 citations · Full text

Natural Sciences, Chemistry, Physics +17

Predicting cytotoxicity from heterogeneous data sources with Bayesian learning

Sarah R. Langdon, Joanna Mulgrew, Gaia V. Paolini et al. · Journal of Cheminformatics · 2010 · 38 citations · Full text

Pharmacy, Pharmacology, Toxicology +17