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Integrating Ligand-Based and Protein-Centric Virtual Screening of Kinase Inhibitors Using Ensembles of Multiple Protein Kinase Genes and Conformations

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

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Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test
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FRED and HYBRID docking performance on standardized datasets
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Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming
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Towards improving compound selection in structure-based virtual screening
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Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion
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Conditional Probability: A New Fusion Method for Merging Disparate Virtual Screening Results
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An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein−Ligand Complexes
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Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method
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Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database
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Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods
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Using Consensus-Shape Clustering To Identify Promiscuous Ligands and Protein Targets and To Choose the Right Query for Shape-Based Virtual Screening
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CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes
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Predictive Power of Molecular Dynamics Receptor Structures in Virtual Screening
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Combined Application of Cheminformatics- and Physical Force Field-Based Scoring Functions Improves Binding Affinity Prediction for CSAR Data Sets
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CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions
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Virtual Drug Screen Schema Based on Multiview Similarity Integration and Ranking Aggregation
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Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods
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Comparative Assessment of Scoring Functions on a Diverse Test Set
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Recipes for the Selection of Experimental Protein Conformations for Virtual Screening
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Binding Energy Landscape Analysis Helps to Discriminate True Hits from High-Scoring Decoys in Virtual Screening
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Comparative Evaluation of 3D Virtual Ligand Screening Methods: Impact of the Molecular Alignment on Enrichment
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Detailed Analysis of Scoring Functions for Virtual Screening
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Comparative Evaluation of 11 Scoring Functions for Molecular Docking
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Comparison of Automated Docking Programs as Virtual Screening Tools
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MCDOCK: A Monte Carlo simulation approach to the molecular docking problem
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DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
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Further development and validation of empirical scoring functions for structure-based binding affinity prediction
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Comparative study of several algorithms for flexible ligand docking
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Virtual screening of chemical libraries
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The Protein Data Bank
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Molecular Recognition and Docking Algorithms
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Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review
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Systematic Exploitation of Multiple Receptor Conformations for Virtual Ligand Screening
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