Cinfony - Combining disparate cheminformatics resources into a single toolkit

My Open Access papers

Computational Drug Design

Cheminformatics II

Cheminformatics

Python for Chemistry

Chemistrify the Web

Making the most of a QM calculation

Cinfony - Bring cheminformatics toolkits into tune

Improving the quality of chemical databases with community-developed tools (and vice versa)

Universal Smiles: Finally a canonical SMILES string

Protein-ligand docking

cclib - parsers and algorithms for computational chemistry

Chemistry and the Internet

Quantum Chemistry III

Quantum Chemistry

What's New and Cooking in Open Babel 2.3.2

QM at Cambridge Crystallographic Data Centre (CCDC)

Large-scale computational design and selection of polymers for solar cells

Towards Practical Molecular Devices: the Incorporation of a Solid Substrate as an Active Component in Molecular Assemblies