… extended from rigid-body to flexible docking, as well as the … Because flexible design relies
heavily on flexible docking pro … strategies are currently in use for docking flexible lig ands: (a…

… flexible molecular docking [19]. This method is an adaptation of the articulated objects
recognition method suggested by Wolfson [21], which was implemented for the recognition of 2-D …

… recognition — the recognition between highly flexible … We show that this type of recognition
is frequent in formation … Some new computational strategies for flexible docking and …

… The flexibility of the receptor was considered by combining the results obtained with … -cavity
docking (MC docking) to refer to the type of flexible receptor docking used in this study. …

… -bending docking approach and the insight into flexibility it … Here we do not treat the
conformational flexibility of side-… computational docking tools foreseen to aid in studies of …

… of the Rosetta docking method that incorporates explicit backbone flexibility in protein–protein
docking. The … 1, and the wide range of flexible docking problems described in this paper. …

… related challenges make up “the docking problem” (Connolly, 1985). Here, we will consider
one aspect of the docking problem, that of allowing for ligand flexibility in molecular docking. …

… We refined our strategy by studying the flexible docking of methotrexate (MTX) into
dihydrofolate reductase (DHFR), and applied it to the flexible docking of the inhibitor AG-1343, a …

… flexibility as well as receptor backbone flexibility. Including receptor backbone flexibility is
found to produce more correct docked … of the best-scoring docked poses relative to the rigid-…

… I will therefore first discuss recent progress in the prediction of flexibility and conformational
… of flexibility in docking. Note that flexibility also plays a major role in small-molecule docking; …