Drug discovery¶

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

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

Extensive Benchmark Of rDock As A Peptide-Protein Docking Tool¶

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

Challenges Of Docking In Large, Flexible And Promiscuous Binding Sites¶

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

Monte Carlo Simulations Using Pele To Identify A Protein-Protein Inhibitor Binding Site And Pose¶

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

Δ(9)-Tetrahydrocannabinolic Acid Alleviates Collagen-Induced Arthritis: Role Of PPARγ And CB(1) Receptors¶

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