Below are selected publications from all recent years; please check here to cite the use of SiteMap

• •  ö  Osguthorpe, D.J.; Sherman, W.; Hagler, A.T., "Generation of receptor structural ensembles for virtual screening using binding site shape analysis and clustering," Chem. Biol. Drug Des.,, 2012, 80(2), 182-193
• •  ö  Osguthorpe D.J.; Sherman, W.; Hagler, A.T., "Exploring protein flexibility: Incorporating structural ensembles from crystal structures and simulation into virtual screening protocols," J. Phys. Chem. B, 2012, 116(23), 6952-6959
• •  ö  Halgren, T., "Identifying and characterizing binding sites and assessing druggability," J. Chem. Inf. Model., 2009, 49, 377–389
• •  Jorgensen, A. M.; Topiol, S., "Driving forces for ligand migration in the leucine transporter," Chem. Biol. Drug Des, 2008, 72, 265-272
• •  ö  Halgren, T., "New method for fast and accurate binding-site identification and analysis," Chem. Biol. Drug Des., 2007, 69, 146–148

• ö indicates papers (co)authored by Schrödinger scientist(s).