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  1. 1
    Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy

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  2. 2
    Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach

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  3. 3
    The cyclin dependent kinase inhibitor (R)-roscovitine mediates selective suppression of alloreactive human T cells but preserves pathogen-specific and leukemia-specific effectors

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  4. 4
    Crystal structure of human cyclin-dependent kinase-2 complex with MK2 inhibitor TEI-I01800 insight into the selectivity

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  5. 5
    Nonfitting protein-ligand interaction scoring function based on first-principles theoretical chemistry methods development and application on kinase inhibitors
    par Rao, Li
    Publié dans: Journal of computational chemistry (2013)

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  6. 6
    Molecular mechanical study of halogen bonding in drug discovery

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  7. 7
    Relative contributions of desolvation, inter- and intramolecular interactions to binding affinity in protein kinase systems
    Article

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