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Protein-Ligand Docking fast, easy, accurate.

protein strand

Fast, highly accurate docking.
Silicon Informatics iteratively docks multiple conformations of ligand and receptors in parallel, providing the most energetically favorable conformation. Other docking software fits different conformations, one after another, in a serial manner, and relies on scoring, a less accurate method of accelerating the computation. Take a closer look at some of our superior features:

  • Evaluates both steric and electrostatic complementarities.
  • Considers ligand-metal coordination complementarities.
  • Allows inclusion of water molecule in the active site.
  • Uses "conformation selection" to account for the molecular flexibility of both ligand and receptor:
    • Generates independent sets of multiple conformations for both ligand and receptor.
    • Iteratively docks to find most energetically stable complex.
  • Uses AMBER95 force field; no need for grid approximation.
  • Parallelism in the computing algorithm enables evaluation of many conformations simultaneously.
  • Optimized to run in Mac OSX, Linux, and Windows


Personal server, personal dedication.
No cluster?   No problem.   With Silicon Informatics, you control your high performance simulations.  For the first time, we have created application-based high performance computing, enabling you to run simulations never before thought possible with your personal workstation.


Fasten your seatbelts - High Performance at your desktop.
desksideImagine your desktop suddenly transformed into a high performance computing environment.  Whether your desktop environment is Windows, MacOS or Linux, the amazing power of Silicon Informatics helps you to speed your way through datasets previously only crunchable on large clusters and supercomputers. Now, with Silicon Informatics, you can run high performance applications directly from your desktop.     

 

Work, not WaitMore Work, More Accuracy, Less Wait
Interactive high performance computing is here!   Virtually free of outside influences such as higher priority jobs or queuing.   You control your simulations.   You set your priorities.   With Silicon Informatics, you can work interactively to produce better, more accurate results. 

 

 

Interactive Protein Docking
Flexible SimulationsGo ahead, adjust some parameters.   Test your simulation on a subset of your data.   Tune your simulation exactly the way you want it.   Get it right.   Then load your full dataset and be amazed at how quickly and accurately we return your simulation. With Silicon Informatics, interactive simulations yield quick and highly accurate results.   Fewer false positives.   All at your fingertips.    

 

 

Want to learn more?
Contact us.

 

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