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PLS-DA - Docking Optimized Combined Energetic Terms (PLSDA-DOCET) Protocol: A Brief Evaluation

https://doi.org/10.1021/ci2002268

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What this work says

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

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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

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GFscore: A General Nonlinear Consensus Scoring Function for High-Throughput Docking

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Evaluating Virtual Screening Methods: Good and Bad Metrics for the “Early Recognition” Problem

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Supervised Consensus Scoring for Docking and Virtual Screening

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Comparison of Topological, Shape, and Docking Methods in Virtual Screening

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Bootstrap-Based Consensus Scoring Method for Protein–Ligand Docking

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Better than Random? The Chemotype Enrichment Problem

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How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

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Ensemble Docking into Multiple Crystallographically Derived Protein Structures: An Evaluation Based on the Statistical Analysis of Enrichments

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Detailed Analysis of Scoring Functions for Virtual Screening

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Improving Structure-Based Virtual Screening by Multivariate Analysis of Scoring Data

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Benchmarking Sets for Molecular Docking

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Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins

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Ongoing and future developments at the Universal Protein Resource

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What points at this work

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

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Pharmacophore-based screening and drug repurposing exemplified on glycogen synthase kinase-3 inhibitors

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Retrospective group fusion similarity search based on eROCE evaluation metric

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Predictive Models for Fast and Effective Profiling of Kinase Inhibitors

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Modeling Kinase Inhibition Using Highly Confident Data Sets

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ColBioS-FlavRC: A Collection of Bioselective Flavonoids and Related Compounds Filtered from High-Throughput Screening Outcomes

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Comprehensive investigation of selectivity landscape of glycogen synthase kinase-3 inhibitors

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Reliability analysis and optimization of the consensus docking approach for the development of virtual screening studies

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Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints

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Computational Methodologies in the Exploration of Marine Natural Product Leads

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Molecular Docking at a Glance

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Recent Advancements in Docking Methodologies

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Molecular Docking at a Glance

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