FlexX incremental construction

Kramer B, Rarey M, Lengauer T. Evaluation of the FlexX incremental construction algorithm for protein ligand docking. Proteins Struct Fund Genet 1999 37 228-41. 

Evaluation of the FlexX Incremental Construction Algorithm for Protein-Ligand Docking. 

FlexX Automated docking program with incremental construction algorithm and regression-based scoring function... 

FlexX (cartan.gmd.de/FlexX) Rigid protein flexible ligand docking (incremental construction) Empirical scoring intertwined with sampling... 

Thus ligands are often incrementally built within the active site. The principle of the FlexX algorithm is that, physicochemical properties provide the most useful information for ligand placement. Once a set of favorable placement of the base fragment (the core part of the ligand from where the incremental construction starts) has been computed, the ligand building can be started. The incremental construction is formulated as a tree search (Fig. 14) problem. 

Hoffmann et al. [116] combined the incremental construction algorithm in FlexX with an MD-based procedure for post-optimization. First, FlexX is used to create a sample of a few hundred ligand placements. The goal of... 

Perhaps the most commonly utilized systematic search method is incremental construction, which is used by DOCK [41], FlexX [42], E-Novo [91], LUDI [45, 46], ADAM [92], and TrixX [93]. In this particular method, the ligand is... 

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