video Archive

  • Free energy perturbation theory for accurate IC50 calculations

    Free energy perturbation theory for accurate IC50 calculations

    Free Energy perturbation molecular dynamics demonstration. The calculation lets the molecule escape from the binding site and give the free energy difference, directly related to the binding affinity

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  • New Quantum Water Model helps find stable ss DNA conformation in solution

    New Quantum Water Model helps find stable ss DNA conformation in solution

    ss DNA Molecular dynamics trajectory using the latest Quantum force field helps to find a perfectly stable conformation of the biomolecule in solution. The outcome of the simulation is very reasonable, given the fact that ss DNA (such as telomers) tend indeed to form such...

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  • Computer aided drug design video from Quantum Pharma

    Computer aided drug design video from Quantum Pharma

    Molecular modelling software of Quantum Pharmaceuticals is used to dock small molecule to active site of target protein. The molecular docking on flexible protein is explored. The Quantum docking software is available for free use at LeadFinding.com, the online hit-to-lead optimization service to filter and...

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