Gaia V. Paolini

Quantifying the chemical beauty of drugs

G. Richard Bickerton, Gaia V. Paolini, Jérémy Besnard et al. · Nature Chemistry · 2012 · 2.1K citations

Medicinal Chemistry, Drug Design, Medicine +10

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

Global mapping of pharmacological space

Gaia V. Paolini, Richard H B Shapland, Willem P. van Hoorn et al. · Nature Biotechnology · 2006 · 813 citations · Full text

Local Pharmacology, Pharmacology, Global Mapping +2

Simulation of site-site soft-core liquid crystal models

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

Engineering, Liquid Crystalline Elastomer, Computational Chemistry +17

Predicting cytotoxicity from heterogeneous data sources with Bayesian learning

Sarah R. Langdon, Joanna Mulgrew, Gaia V. Paolini et al. · Journal of Cheminformatics · 2010 · 37 citations · Full text