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Molecular docking of balanol to dynamics snapshots of protein kinase A
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
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Harmonic modes as variables to approximately account for receptor flexibility in ligand-receptor docking simulations: Application to DNA minor groove ligand complex
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Automated docking with grid‐based energy evaluation
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Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
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Ligand docking to proteins with discrete side-chain flexibility
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Macromolecular electrostatics: continuum models and their growing pains
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Determinants of Ligand Binding to cAMP-Dependent Protein Kinase
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Crystal Structure of the Potent Natural Product Inhibitor Balanol in Complex with the Catalytic Subunit of cAMP-Dependent Protein Kinase
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Fully Flexible Low-Mode Docking: Application to Induced Fit in HIV Integrase
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Computational Drug Design Accommodating Receptor Flexibility: The Relaxed Complex Scheme
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All-Atom Structure Prediction and Folding Simulations of a Stable Protein
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Molecular Dynamics Simulations of Nucleic Acids with a Generalized Born Solvation Model
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Generalized Born Models of Macromolecular Solvation Effects
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Total Synthesis of (−)‐Balanol, All Stereoisomers, Their N‐Tosyl Analogues, and Fully Protected Ophiocordin: An Easy Route to Hexahydroazepine Cores from Garner Aldehydes
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