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Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods

https://doi.org/10.1021/ci2004835

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What this work says

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

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Integrating Structure‐ and Ligand‐Based Virtual Screening: Comparison of Individual, Parallel, and Fused Molecular Docking and Similarity Search Calculations on Multiple Targets

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Comparison of Structure‐ and Ligand‐Based Virtual Screening Protocols Considering Hit List Complementarity and Enrichment Factors

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Enhancing the Effectiveness of Ligand‐Based Virtual Screening Using Data Fusion

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Three-Dimensional Pharmacophoric Pattern Searching

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Community benchmarks for virtual screening

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How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment

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Conditional Probability: A New Fusion Method for Merging Disparate Virtual Screening Results

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Analysis of Data Fusion Methods in Virtual Screening: Similarity and Group Fusion

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Analysis of Data Fusion Methods in Virtual Screening: Theoretical Model

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Comparison of Consensus Scoring Strategies for Evaluating Computational Models of Protein−Ligand Complexes

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The Use of Consensus Scoring in Ligand-Based Virtual Screening

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Ligand Bias of Scoring Functions in Structure-Based Virtual Screening

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FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set

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Optimization of High Throughput Virtual Screening by Combining Shape-Matching and Docking Methods

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

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Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis

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The Effect of Ligand-Based Tautomer and Protomer Prediction on Structure-Based Virtual Screening

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Kinases, Homology Models, and High Throughput Docking

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Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

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Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening

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Contribution of Conformer Focusing to the Uncertainty in Predicting Free Energies for Protein−Ligand Binding

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Benchmarking Sets for Molecular Docking

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Prediction of Protein−Ligand Interactions. Docking and Scoring: Successes and Gaps

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A Unified, Probabilistic Framework for Structure- and Ligand-Based Virtual Screening

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Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions

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The Protein Data Bank

inferredcites →https://doi.org/10.1126/science.1096361openalex-snapshot

The Many Roles of Computation in Drug Discovery

inferredcites →https://doi.org/10.1517/17460441.3.8.841openalex-snapshot

What has virtual screening ever done for drug discovery?

What points at this work

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

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