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FlexS 2.1.0

Ligand superpositions prediction made easy.

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Last Week downloads: 0
Total downloads: 89
  • Last Updated: Aug 13, 2012
  • License: Freeware Free
  • OS: Windows 7/Vista/XP
  • Requirements: No special requirements
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User reviews

4 out of 5 based on 1 ratings for FlexS 2.1.0

For FlexS 2.1.0Publisher's description

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FlexS is a Photo & Image software developed by Bid Solve Inc.. After our trial and test, the software is proved to be official, secure and free. Here is the official description for FlexS:

BSEditor: FlexS is a handy, easy to use tool specially designed to help you predict ligand superpositions. For a given pair of ligands, 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.

Here are some key features of "FlexS":

· FlexS is fast. On our ligand-ligand Benchmark set of about 280 molecule pairs, FlexS takes less than 2 minutes per superpositioning Prediction on the average. The computing time depends on the size of the ligands, and the degree of ligand symmetry and flexibility and lies in the range from a few seconds up to a few minutes.

· The conformational flexibility of the ligand is taken into account by considering both torsion angle flexibility as well as the conformational flexibility of ring systems. In the current version of FlexS, the reference-ligand is rigid.

· The placement Algorithm in FlexS is based on aligning interacting groups common between the molecules. This ensures that the search is limited to low-energy structures improving the quality of the results in a given amount of computing time.

· FlexS is based on sophisticated physico-chemical models. The MIMUMBA torsion angle database is used for the creation of conformers, an interaction geometry database is used to exactly describe intermolecular interaction patterns. For scoring, the Boehm function (with minor adaptions necessary for docking) is applied.
you can free download FlexS 2.1.0 now.

Statement

Please be aware that Brothersoft do not supply any crack, patches, serial numbers or keygen for FlexS,and please consult directly with program authors for any problem with FlexS.