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Simple method for locating possible ligand binding sites on protein surfaces
Author(s) -
Bliznyuk Andrey A.,
Gready Jill E.
Publication year - 1999
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/(sici)1096-987x(19990715)20:9<983::aid-jcc9>3.0.co;2-r
Subject(s) - fast fourier transform , van der waals force , grid , simple (philosophy) , surface (topology) , set (abstract data type) , force field (fiction) , ligand (biochemistry) , opls , work (physics) , fourier transform , computer science , computational science , fourier series , chemistry , algorithm , biological system , computational chemistry , molecular dynamics , geometry , molecule , physics , mathematics , mathematical analysis , artificial intelligence , quantum mechanics , receptor , biology , biochemistry , epistemology , water model , programming language , organic chemistry , philosophy