Docking problem

Geometric hashing73 originated from the area of computer vision and was first applied to molecular docking problems by Fischer et al.74,75 In computer vision, the geometric hashing scheme was developed for the problem of recognizing (partially occluded) objects in camera scenes. In principle,... 

Hybrid Methods Due to the complexity of the docking problem, all methods have their pros and cons. No one method will work well for every problem. Combining different methods is therefore a reasonable approach, which can result in methods containing the best of each. 

In the context of combinatorial libraries, we distinguish between three kinds of docking problems ... 

Combinatorial Docking Problem Given a library of ligands, calculate the docking score (and the geometry of the complex) for each molecule of the library. 

Carlo Simulation Approach to the Molecular Docking Problem. 

Given the multitude of approaches now used to dock small molecules and peptides to proteins, why should the protein-protein docking problem require its own approaches Could one make do with the software packages developed for these related problems Unfortunately, the answer is usually no. 

Throughout this chapter, we roughly separate docking approaches by their treatment of protein flexibility. Within the two broad categories (rigid body and flexible docking), the docking problem can be separated into two subproblems ... 

Refinement of Protein Interfaces Incorporating Solvation Application to the Docking Problem. 

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