Using a staged multi-objective optimization approach to find selective pharmacophore models

MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries

Thomas A. Halgren · Journal of Computational Chemistry · 1999 · 719 citations

Natural Sciences, Biophysics, Chemistry +13

A genetic algorithm for flexible molecular overlay and pharmacophore elucidation

Gareth Jones, Peter Willett, Robert C. Glen · Journal of Computer-Aided Molecular Design · 1995 · 392 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +16

GALAHAD: 1. Pharmacophore identification by hypermolecular alignment of ligands in 3D

Nicola J. Richmond, Charlene A. Abrams, Philippa R. N. Wolohan et al. · Journal of Computer-Aided Molecular Design · 2006 · 190 citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +11

Combinatorial Library Design Using a Multiobjective Genetic Algorithm

Valerie J. Gillet, Wael Khatib, Peter Willett et al. · Journal of Chemical Information and Computer Sciences · 2002 · 152 citations

Pharmacy, Medicinal Chemistry, Combinatorial Chemistry +14

Alignment of three-dimensional molecules using an image recognition algorithm

Nicola J. Richmond, Peter Willett, Robert D. Clark · Journal of Molecular Graphics and Modelling · 2004 · 69 citations

Pharmacy, Chemistry, Molecular Recognition +10