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The University of Molise (Italian: Università degli Studi del Molise), also known as UNIMOL, is an Italian public university located in Campobasso, Italy.It was founded in 1982 by the Law n.590 according to the plan for the development and institution of new universities; the campuses of this university are all set in the region of Molise and they are: in Campobasso (Headquarter), Pesche and ...
Irwin Douglas "Tack" Kuntz is an important figure in the field of computer-aided drug design and molecular modeling.He is a pioneer in the development and conception of the area of study known as molecular docking.
One can think of molecular docking as a problem of “lock-and-key”, in which one wants to find the correct relative orientation of the “key” which will open up the “lock” (where on the surface of the lock is the key hole, which direction to turn the key after it is inserted, etc.).
Two of the most used docking programs belong to this class: GOLD [8] and AutoDock. [9] Genetic algorithms allow the exploration of a large conformational space – which is basically spanned by the protein and ligand jointly in this case – by representing each spatial arrangement of the pair as a “gene” with a particular energy.
Docking glossary Receptor or host or lock The "receiving" molecule, most commonly a protein or other biopolymer. Ligand or guest or key The complementary partner molecule which binds to the receptor. Ligands are most often small molecules but could also be another biopolymer. Docking Computational simulation of a candidate ligand binding to a ...
Docking (the insertion of one man's penis into another man's foreskin) is also practiced. Manual sex is another non-penetrative sex act that can occur between men. This includes handjobs, which is the use of one's hands to stimulate someone else's penis or scrotum, and anal fingering, which is the use of one's fingers to stimulate someone's anus.
Macromolecular docking is the computational modelling of the quaternary structure of complexes formed by two or more interacting biological macromolecules. Protein –protein complexes are the most commonly attempted targets of such modelling, followed by protein– nucleic acid complexes.
The idea behind the design is that unlike with the probe-and-drogue docking system, any APAS docking ring can mate with any other APAS docking ring; both sides are androgynous. In each docking there is an active and a passive side, but both sides can fulfill either role. There are three basic variations of the APAS.
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