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FlexS

FlexS
Version: 2.1.2
Platforms: Windows

Categories: Graphic Design Software
Upload Date: 22 Jan 15
Developer: BioSolveIT
Distribution Type: Freeware
Downloads: 13
File Size: 6600 Kb
Free Download FlexS 

Rating: 0.0/5 (Total votes: 0)


 

FlexS predicts the conformation and orientation of one of the ligands relative to the other one. In FlexS the reference-ligand is assumed to be rigid, thus, it should be given in a conformation which is similar to the bound state. The superposition algorithm in FlexS requires only little manual intervention. You can integrate this knowledge into the computations with FlexS by carrying out single steps manually. Thus, FlexS is designed for interactive work on ligand pairs as well as for ligand-based virtual screening. The two main applications of FlexS are ligand super positioning (eg. for CoMFA/QSAR) and virtual screening. If you have a protein and a small molecule binding to it (so called reference-ligand) but no structure of the protein, you can take the reference structure as a negative fingerprint of the active site. FlexS determines the similarity between the test and the reference structure by aligning them. In virtual screening, you have a reference-ligand and a set of compounds and you are interested in prioritizing the compounds for experimental testing.

 
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Other Windows Software of Developer «BioSolveIT»:

PoseViewPoseView
PoseView a compact tool that is able to generate 2D diagrams by providing the structure data as a raw PDB file. The input may come directly from crystal structures or be computed for example by a docking program. The output can be visualized in a GUI or ex
FlexNovoFlexNovo
FlexNovo is a new molecular design program based on the FlexX-technology of incrementally constructing a ligand in an active site. It facilitates a fragment-based approach to de novo design in the context of the 3D-structure of the target. It is meant to b

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Supported Operating Systems:
Windows 2000 |  Windows 2003 |  Windows 7 |  Windows Vista |  Windows XP | 
 

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