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Comparison of Virtual High-Throughput Screening Methods for the Identification of Phosphodiesterase-5 Inhibitors

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What this work says

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

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Effect of Sildenafil on Cardiac Performance in Patients With Heart Failure

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An insight into the pharmacophores of phosphodiesterase-5 inhibitors from synthetic and crystal structural studies

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Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors

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Automatic atom type and bond type perception in molecular mechanical calculations

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A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases

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Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases

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Efficacy of sildenafil as adjuvant therapy to selective serotonin reuptake inhibitor in alleviating premature ejaculation

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Acute type 5 phosphodiesterase inhibition with sildenafil enhances flow-mediated vasodilation in patients with chronic heart failure

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The effect of sildenafil on human vascular function, platelet activation, and myocardial ischemia

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ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers

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Novel Approach to Structure-Based Pharmacophore Search Using Computational Geometry and Shape Matching Techniques

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FieldScreen: Virtual Screening Using Molecular Fields. Application to the DUD Data Set

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ShaEP: Molecular Overlay Based on Shape and Electrostatic Potential

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Molecular Dynamics Simulations of Nucleic Acids with a Generalized Born Solvation Model

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A Novel Series of Potent and Selective PDE5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability

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Benchmarking Sets for Molecular Docking

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Sildenafil Citrate Therapy for Pulmonary Arterial Hypertension

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Molecular dynamics with coupling to an external bath

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Multiple Conformations of Phosphodiesterase-5

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The Protein Data Bank

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Analytical molecular surface calculation

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MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

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Detection, delineation, measurement and display of cavities in macromolecular structures

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Negative Image-Based Screening: Rigid Docking Using Cavity Information

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Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening

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Suitability of MMGBSA for the selection of correct ligand binding modes from docking results

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Fragment‐ and negative image‐based screening of phosphodiesterase 10A inhibitors

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