Drug discovery
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Atomistic Simulations Shed New Light On The Activation Mechanisms Of RORγ And Classify It As Type III Nuclear Hormone Receptor Regarding Ligand-Binding Paths
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.. figure:: images/rorgamma.png
    :scale: 35%
    :align: center

- Paper: https://www.ncbi.nlm.nih.gov/pubmed/31754232

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Pushing The Limits Of Computational Structure-Based Drug Design With A Cryo-EM Structure: The Ca2+ Channel α2δ-1 Subunit As A Test Case
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.. figure:: images/cryoem.gif
    :scale: 90%
    :align: center

- Paper: https://www.ncbi.nlm.nih.gov/pubmed/30053380

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Extensive Benchmark Of rDock As A Peptide-Protein Docking Tool
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.. figure:: images/rdock.png
    :scale: 50%
    :align: center

- Paper: https://www.ncbi.nlm.nih.gov/pubmed/31270654

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Challenges Of Docking In Large, Flexible And Promiscuous Binding Sites
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.. figure:: images/docking.jpg
    :scale: 70%
    :align: center

- Paper: https://www.ncbi.nlm.nih.gov/pubmed/27545443

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Monte Carlo Simulations Using Pele To Identify A Protein-Protein Inhibitor Binding Site And Pose
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.. figure:: images/monte_carlo_dd.png
    :scale: 100%
    :align: center

- Paper: http://dx.doi.org/10.1039/D0RA01127D

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Δ(9)-Tetrahydrocannabinolic Acid Alleviates Collagen-Induced Arthritis: Role Of PPARγ And CB(1) Receptors
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.. figure:: images/collagen_induced_arthritis.png
    :scale: 100%
    :align: center

- Paper: https://doi.org/10.1111/bph.15155