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Normalizing Molecular Docking Rankings using Virtually Generated Decoys
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jcc.20084openalex-snapshot
UCSF Chimera—A visualization system for exploratory research and analysis
inferredcites →https://doi.org/10.1007/s10822-007-9167-2openalex-snapshot
Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?
inferredcites →https://doi.org/10.1007/s10822-010-9394-9openalex-snapshot
Biased retrieval of chemical series in receptor-based virtual screening
inferredcites →https://doi.org/10.1016/j.jmgm.2005.04.004openalex-snapshot
Similarities among receptor pockets and among compounds: Analysis and application to in silico ligand screening
inferredcites →https://doi.org/10.1016/j.jmgm.2006.06.002openalex-snapshot
eHiTS: A new fast, exhaustive flexible ligand docking system
inferredcites →https://doi.org/10.1016/s0959-440x(02)00344-5openalex-snapshot
Rotamer Libraries in the 21st Century
inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci050400bopenalex-snapshot
The Blue Obelisk—Interoperability in Chemical Informatics
inferredcites →https://doi.org/10.1021/ci050407topenalex-snapshot
Ligand Bias of Scoring Functions in Structure-Based Virtual Screening
inferredcites →https://doi.org/10.1021/ci100214aopenalex-snapshot
Rapid Context-Dependent Ligand Desolvation in Molecular Docking
inferredcites →https://doi.org/10.1021/ci100374fopenalex-snapshot
Virtual Decoy Sets for Molecular Docking Benchmarks
inferredcites →https://doi.org/10.1021/ci8004308openalex-snapshot
Docking Ligands into Flexible and Solvated Macromolecules. 4. Are Popular Scoring Functions Accurate for this Class of Proteins?
inferredcites →https://doi.org/10.1021/jm030161oopenalex-snapshot
Multiple Active Site Corrections for Docking and Virtual Screening
inferredcites →https://doi.org/10.1021/jm030644sopenalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
inferredcites →https://doi.org/10.1021/jm0608356openalex-snapshot
Benchmarking Sets for Molecular Docking
inferredcites →https://doi.org/10.1021/jm1013677openalex-snapshot
A Unified, Probabilistic Framework for Structure- and Ligand-Based Virtual Screening
inferredcites →https://doi.org/10.1021/jm960352+openalex-snapshot
Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/jmr.2266openalex-snapshot
Latest developments in molecular docking: 2010–2011 in review
inferred← citeshttps://doi.org/10.1002/minf.201400159openalex-snapshot
Enhancing the Reliability of GPCR Models by Accounting for Flexibility of Their Pro‐Containing Helices: the Case of the Human mAChR1 Receptor
inferred← citeshttps://doi.org/10.1007/s00044-014-0910-7openalex-snapshot
Integrating molecular docking, CoMFA analysis, and machine-learning classification with virtual screening toward identification of novel scaffolds as Plasmodium falciparum enoyl acyl carrier protein reductase inhibitor
inferred← citeshttps://doi.org/10.1016/j.ymeth.2014.11.015openalex-snapshot
Benchmarking methods and data sets for ligand enrichment assessment in virtual screening
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00537openalex-snapshot
Development and Testing of Druglike Screening Libraries
inferred← citeshttps://doi.org/10.1021/ci500028uopenalex-snapshot
Improvement of Virtual Screening Results by Docking Data Feature Analysis
inferred← citeshttps://doi.org/10.1186/s13321-016-0119-5openalex-snapshot
11th German Conference on Chemoinformatics (GCC 2015)
inferred← citeshttps://doi.org/10.18297/etd/962openalex-snapshot
Structure-based design of inhibitors of CXCR4.
inferred← citeshttps://doi.org/10.3390/biology11050740openalex-snapshot
MSPEDTI: Prediction of Drug–Target Interactions via Molecular Structure with Protein Evolutionary Information
inferred← citeshttps://doi.org/10.3390/ph17091183openalex-snapshot
Pharmacophore-Based Study: An In Silico Perspective for the Identification of Potential New Delhi Metallo-β-lactamase-1 (NDM-1) Inhibitors
inferred← citeshttps://doi.org/10.3866/pku.whxb201606202openalex-snapshot
Improved Docking-Based Virtual Screening Using the Score Correction Strategy for Specific Endothelial Lipase Inhibitors Identification
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