Derivation of Sensitive Discrimination Potential for Virtual Ligand Screening

Rapid boundary element solvation electrostatics calculations in folding simulations: successful folding of a 23-residue peptide.

High-throughput docking for lead generation.

ICFF: a new method to incorporate implicit flexibility into an internal coordinate force field.

Comprehensive identification of druggable” protein ligand binding sites.”

Optimal docking area: a new method for predicting protein-protein interaction sites.

REVCOM: a robust Bayesian method for evolutionary rate estimation.

Pocketome via comprehensive identification and classification of ligand binding envelopes.

Disseminating structural genomics data to the public: from a data dump to an animated story.

PIER: protein interface recognition for structural proteomics.