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Incorporating Protein Flexibility in Structure-Based Drug Discovery: Using HIV-1 Protease as a Test Case

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Outgoing claims: the papers this work cites, builds on, or argues with.

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FlexE: efficient molecular docking considering protein structure variations
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Structural and biochemical studies of retroviral proteases
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Complexity and simplicity of ligand–macromolecule interactions: the energy landscape perspective
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Flap opening and dimer-interface flexibility in the free and inhibitor-bound HIV protease, and their implications for function
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Protein flexibility and drug design: how to hit a moving target
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Molecular Recognition of Protein−Ligand Complexes: Applications to Drug Design
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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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Lessons in Molecular Recognition: The Effects of Ligand and Protein Flexibility on Molecular Docking Accuracy
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Developing a Dynamic Pharmacophore Model for HIV-1 Integrase
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Method for Including the Dynamic Fluctuations of a Protein in Computer-Aided Drug Design
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Virtual screening with solvation and ligand-induced complementarity
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Comparison of simple potential functions for simulating liquid water
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Rapid structural fluctuations of the free HIV protease flaps in solution: Relationship to crystal structures and comparison with predictions of dynamics calculations
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A Single Glycine Residue at the Entrance to the First Membrane-Spanning Domain of the γ-Aminobutyric Acid Type A Receptor β2Subunit Affects Allosteric Sensitivity to GABA and Anesthetics
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Drug Delivery Systems: Entering the Mainstream
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The Many Roles of Computation in Drug Discovery

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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