Computational Robotics, AI & Biomedicine Lab
L. E. Kavraki, “Geometry and the Discovery of New Ligands,” in Algorithms for Robotic Motion and Manipulation (WAFR 1996), A.K. Peters, 1997, pp. 435–448.
PDF preprint: http://kavrakilab.org/publications/kavraki1997geometry-and-discovery.pdf