Comparative Study of Ligand Docking
نویسندگان
چکیده
منابع مشابه
Comparative study of several algorithms for flexible ligand docking
We have performed a comparative assessment of several programs for flexible molecular docking: DOCK 4.0, FlexX 1.8, AutoDock 3.0, GOLD 1.2 and ICM 2.8. This was accomplished using two different studies: docking experiments on a data set of 37 protein-ligand complexes and screening a library containing 10,037 entries against 11 different proteins. The docking accuracy of the methods was judged b...
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The parameters ∆H R, ∆S ◦ R and ∆Cp can all be calculated from knowledge of various changes in accessible surface area (ASA), which is defined as the surface traced out by a sphere, with radius equal to that of a solvent molecule, when rolled over the surface of the molecule of interest. This can also be formulated in configuration space as the Minkowski sum of the protein and the sphere, namel...
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ژورنال
عنوان ژورنال: International Journal of Computer Applications
سال: 2010
ISSN: 0975-8887
DOI: 10.5120/1045-1355