Search results
Results from the WOW.Com Content Network
www.schrodinger.com /products /glide Glide is a molecular modeling software for docking of small molecules into proteins and other biopolymers . [ 1 ] [ 2 ] It was developed by Schrödinger, Inc.
During the course of the docking process, the ligand and the protein adjust their conformation to achieve an overall "best-fit" and this kind of conformational adjustment resulting in the overall binding is referred to as "induced-fit". [5] Molecular docking research focuses on computationally simulating the molecular recognition process.
The Katchalski-Katzir algorithm is an algorithm for docking of rigid molecules, developed by Ephraim Katchalski-Katzir, Isaac Shariv and Miriam Eisenstein. [1] [2]In 1990 Professor Ephraim Katchalski-Katzir, former president of the state of Israel, gathered a group of physicists, chemists and biologists at the Weizmann Institute of Science, to discuss intermolecular recognition.
The latest version of protein-protein docking benchmark consists of 230 complexes. [16] A protein-DNA docking benchmark consists of 47 test cases. [ 17 ] A protein-RNA docking benchmark was curated as a dataset of 45 non-redundant test cases [ 18 ] with complexes solved by X-ray crystallography only as well as an extended dataset of 71 test ...
English: This PDF displays the movements of the internal Conus docking cones within the Mir core module's forward docking hub over the lifetime of the station. Most Conus movements were made by cosmonauts during internal EVAs lasting approximately 20 minutes, as the Conus placement required removing one of four outer hatches exposing the pressurised hub to the vacuum of space.
The number of notable protein-ligand docking programs currently available is high and has been steadily increasing over the last decades. The following list presents an overview of the most common notable programs, listed alphabetically, with indication of the corresponding year of publication, involved organisation or institution, short description, availability of a webservice and the license.
The goal of protein–ligand docking is to predict the position and orientation of a ligand (a small molecule) when it is bound to a protein receptor or enzyme. [1] Pharmaceutical research employs docking techniques for a variety of purposes, most notably in the virtual screening of large databases of available chemicals in order to select ...
MacroModel is a computer program for molecular modelling of organic compounds and biopolymers.It features various chemistry force fields, plus energy minimizing algorithms, to predict geometry and relative conformational energies of molecules. [1]