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Scoring Functions for Protein-Ligand Recognition

Recent advances in computational power have made it possible to use efficient approximations of the Poisson-Boltzmann equation also to estimate the electrostatic component of protein-ligand interactions [56]. [Pg.66]

Difficulties in these approaches include that, according to literature [57-59] and the authors own experience, there is no general preference to one superior docking tool and scoring function that adequately works for different problems. Furthermore, it is an open question whether the detection of the best docking mode and the ranking of molecules require different scoring functions. [Pg.67]


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Functional protein-functionalized

Functional recognition

Functionality protein

Functionalized ligands

Ligand recognition

Protein-ligand

Protein-ligand scoring functions

Proteins functioning

Proteins recognition

Recognition function

Scoring function

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