docking algorithm

См. также в других словарях:

• Docking (molecular) — 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… …   Wikipedia

• Docking Server — Infobox Software name = Docking Server developer = Virtua Drug Ltd latest release version = 1.0 latest release date = June 26, 2008 operating system = web operating system genre = Molecular modelling website = [http://www.dockingserver.com/… …   Wikipedia

• Macromolecular docking — is the computational modelling of the molecular structure of complexes formed by two or more interacting biological macromolecules. Protein protein complexes are the most commonly attempted targets, followed increasingly by protein nucleic acid… …   Wikipedia

• Searching the conformational space for docking — The search space consists of all possible orientations and conformations of the protein paired with the ligand. With present computing resources, it is impossible to exhaustively explore the search space; this would involve enumerating all… …   Wikipedia

• Katchalski-Katzir algorithm — The Katchalski Katzir algorithm is an algorithm for docking of rigid molecules, developed by Ephraim Katchalski/Katzir.It is a purely geometric algorithm, but some extensions of it also implement electrostatics.The algorithm s first step is… …   Wikipedia

• Acoplamiento molecular — Glosario del articulo • Receptor – Es la molécula que recibe, por lo normal es una proteína u otro biopolímero. • Ligando – Es la pareja complementaria que se enlaza al receptor. Por lo general son moléculas más pequeñas que el receptor, aunque… …   Wikipedia Español

• Mathematics and Physical Sciences — ▪ 2003 Introduction Mathematics       Mathematics in 2002 was marked by two discoveries in number theory. The first may have practical implications; the second satisfied a 150 year old curiosity.       Computer scientist Manindra Agrawal of the… …   Universalium

• List of distributed computing projects — A list of distributed computing projects. Berkeley Open Infrastructure for Network Computing (BOINC) The Berkeley Open Infrastructure for Network Computing (BOINC) platform is currently the most popular volunteer based distributed computing… …   Wikipedia

• Rosetta@home — infobox software name = Rosetta@home caption = Rosetta@home screensaver for CASP 8 target [http://predictioncenter.gc.ucdavis.edu/casp8/target.cgi?id=119 view=all T0482] developer = Baker laboratory, University of Washington; Rosetta Commons… …   Wikipedia

• Metadynamics — is a technique in computational physics and chemistry, used to improve sampling of a system (or different systems) where ergodicity is hindered by the form of the system s energy landscape. It was first suggested by Laio and Parrinello in 2002[1] …   Wikipedia

• DOCK — The program UCSF DOCK was created in the 1980s by Irwin Tack Kuntz s Group, and was the first docking program.[1] DOCK uses geometric algorithms to predict the binding modes of small molecules.[2][3][4] Brian K. Shoichet, David A. Case, and… …   Wikipedia