Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening.

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Spherical harmonics coefficients for ligand-based virtual screening of cyclooxygenase inhibitors Identifying and characterizing promiscuous targets: implications for virtual screening.

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Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening.

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2010 nî lūn-bûn

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2010年の論文

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Using Spherical Harmonic Surfa ...... igand-Based Virtual Screening.

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Using Spherical Harmonic Surfa ...... igand-Based Virtual Screening.

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Using Spherical Harmonic Surfa ...... igand-Based Virtual Screening.

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Using Spherical Harmonic Surfa ...... igand-Based Virtual Screening.

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Using Spherical Harmonic Surfa ...... igand-Based Virtual Screening.

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Using Spherical Harmonic Surfa ...... igand-Based Virtual Screening.

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P1476

Using Spherical Harmonic Surfa ...... igand-Based Virtual Screening.

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P2093

Violeta I Pérez-Nueno

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Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site

Optimal assignment methods for ligand-based virtual screening

Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?

Benchmarking sets for molecular docking

Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening.

FieldScreen: virtual screening using molecular fields. Application to the DUD data set.

Comparison of ligand- and structure-based virtual screening on the DUD data set.

ShaEP: molecular overlay based on shape and electrostatic potential.

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

Clustering and classifying diverse HIV entry inhibitors using a novel consensus shape-based virtual screening approach: further evidence for multiple binding sites within the CCR5 extracellular pocket.

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151-159

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scholarly article

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10.1002/MINF.201000149

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2-3

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2010-12-22T00:00:00Z

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229862074

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27466769

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Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening.

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P2860

P2860

Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening.

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type

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P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P5875

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P5875

P698