Structural Biology Software Database Structural Biology Software Database Application Index Sort by [ Name ] Category: Molecular Docking (19 entries) Applications for docking a small molecule like drug or ligand onto a large molecule such as an enzyme. AutoDock AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

It is available for free for academics institutions and can be installed on most unix machines. DOCK DOCK is a software that can examine possible binding orientations of protein-protein and protein- DNA complexes. It can be used to search databases of molecular structures for compounds which act as enzyme inhibitors or which bind to target receptors. It can also search databases for DNA-binding compounds. Download Free Software P Vei Ordliste Norsk Engelsk Pdf Reader.

Click2Drug contains a comprehensive list of computer-aided drug design (CADD) software. Exhaustive search based docking. MC based docking software. SwissDock, a free protein ligand docking web service powered by EADock DSS by the Molecular Modeling group of the Swiss Institute of Bioinformatics.

Fifa 06 Full Game For Pc more. It is available for unix workstations and is free for academic users. DOT (Daughter Of Turnip) DOT is a program for docking macromolecules to other molecules of any size.

It runs efficiently on parallel systems ranging from networked workstations to supercomputers. FADE and PADRE (Fast Atomic Density Evaluator and Pairwise Atomic Density Reverse Engineering) FADE (Fast Atomic Density Evaluator) and PADRE (Pairwise Atomic Density Reverse Engineering) programs are designed to aid in the molecular modeling of proteins. In particular, the programs can rapidly elucidate features of interest such as crevices, grooves and protrusions. The topographical information produced by FADE and PADRE can help researchers easily pinpoint the most prominent features of a protein, regions which are likely to participate in interactions with other molecules. In addition to providing shape descriptors to aid in analyzing single molecules, FADE can directly evaluate the level of shape complementarity for docked protein-protein complexes. FlexiDock FlexiDock is a commercial software performs flexible docking of ligands into receptor binding sites.

It is available for SGI R4000, 5000, 8000, 10000, 12000. FlexX FlexX is a computer program for predicting protein-ligand interactions. For a protein with known three-dimensional structure and a small ligand molecule, FlexX predicts the geometry of the protein-ligand complex and estimates the binding affinity. The two main applications of FlexX are complex prediction and virtual screening. Complex prediction is used, when you have a protein and a small molecule binding to it but no structure of the protein-ligand complex. FlexX can be used to create and rank a series of possible protein-ligand complexes.