Autors: Sapundzhi, F., Prodanova, K. S., Lazarova, M. D.
Title: Survey of the scoring functions for protein-ligand docking (Open Access)
Keywords: -

Abstract: Molecular docking algorithms predict the binding of a macromolecule (receptor) and a small molecule (ligand). Virtual screening by molecular docking has become established as a method for drug lead discovery and optimization. All docking algorithms make use of a scoring function in combination with a method of search. Presuming adequate search strategies, a scoring function's location performance will dominate behavior with respect to docking accuracy: the degree to which a predicted pose of a ligand matches experimental observation. Approaches to the development of scoring functions have varied widely, with a number of functions yielding similarly high levels of performance relating to the location issue. In this paper a survey of scoring functions for protein-ligand docking is presented



    AIP Conference Proceedings. 45th International Conference on Application of Mathematics in Engineering and Economics, AMEE 2019; Sozopol; Bulgaria; 7 June 2019 through 13 June 2019, vol. 2172, pp. Article number 100008, 2019, Bulgaria, American Institute of Physics Inc., DOI 10.1063/1.5133601

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    Вид: пленарен доклад в международен форум, публикация в издание с импакт фактор, публикация в реферирано издание, индексирана в Scopus