SwissDock, a protein-small molecule docking web service based on EADock DSS

Rational Design of Indoleamine 2,3-Dioxygenase Inhibitors

(2010) Ute F. Röhrig et al.   JOURNAL OF MEDICINAL CHEMISTRY

Docking Screens: Right for the Right Reasons?

(2009) Peter Kolb et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Automated Docking Screens: A Feasibility Study

(2009) John J. Irwin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Kemp elimination catalysts by computational enzyme design

(2008) Daniela Röthlisberger et al.   NATURE

FACTS: Fast analytical continuum treatment of solvation

(2007) Urs Haberthür et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY