Frog2: Efficient 3D conformation ensemble generator for small compounds

Combined Pharmacophore Modeling, Docking, and 3D QSAR Studies of ABCB1 and ABCC1 Transporter Inhibitors

(2009) Ilza K. Pajeva et al.   ChemMedChem

Targeted scoring functions for virtual screening

(2009) Markus H.J. Seifert   DRUG DISCOVERY TODAY

How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space

(2009) Andreas Bender et al.   Journal of Chemical Information and Modeling

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

(2008) Tania Pencheva et al.   BMC BIOINFORMATICS

MED-3DMC: A new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space

(2008) Olivier Sperandio et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis

(2008) Ken A. Brameld et al.   Journal of Chemical Information and Modeling