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Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase
Birch, L.; Murray, C.W.; Hartshorn, M.J.; Tickle, I.J.; Verdonk, M.L.
AstexViewerTM †: a visualisation aid for structure-based drug design
Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening
Zavodszky, M.I.; Sanschagrin, P.C.; Kuhn, L.A.; Korde, R.S.; Kuhn, L.A.
Flexsim-R: A virtual affinity fingerprint descriptor to calculate similarities of functional groups
Weber, A.; Teckentrup, A.; Briem, H.
On the molecular interaction between lactoferrin and the dye Red HE-3B. A novel approach for docking a charged and highly flexible molecule to protein surfaces
Grasselli, M.; Cascone, O.; Anspach, F.B.; Delfino, J.M.
A structure-based design approach for the identification of novel inhibitors: application to an alanine racemase
Mustata, G.I.; Briggs, J.M.
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