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SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design

https://doi.org/10.1021/ci2003363

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What this work says

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

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Structural Interaction Fingerprint (SIFt): A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions

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The PDBbind Database: Collection of Binding Affinities for Protein−Ligand Complexes with Known Three-Dimensional Structures

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Novel, Potent Small-Molecule Inhibitors of the Molecular Chaperone Hsp90 Discovered through Structure-Based Design

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Benchmarking Sets for Molecular Docking

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Ligand selectivity and competition between enzymes in silico

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Molecular docking and ligand specificity in fragment-based inhibitor discovery

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Deconstructing fragment-based inhibitor discovery

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Announcing the worldwide Protein Data Bank

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Docking for fragment inhibitors of AmpC β-lactamase

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Crystal Structure of Fungal Lectin

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Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes

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KEGG for representation and analysis of molecular networks involving diseases and drugs

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DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs

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PDBe: Protein Data Bank in Europe

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The Uppsala Electron-Density Server

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The Many Roles of Computation in Drug Discovery

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Discovering High-Affinity Ligands for Proteins: SAR by NMR

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Identification of a lead small-molecule inhibitor of the Aurora kinases using a structure-assisted, fragment-based approach

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Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods

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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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Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments

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Latest developments in molecular docking: 2010–2011 in review

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Computational Methods for Fragment-Based Ligand Design: Growing and Linking

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FastGrow: on-the-fly growing and its application to DYRK1A

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The use of virtual screening and differential scanning fluorimetry for the rapid identification of fragments active against MEK1

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Successful generation of structural information for fragment-based drug discovery

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LEADS-FRAG: A Benchmark Data Set for Assessment of Fragment Docking Performance

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Shape-Based Descriptors for Efficient Structure-Based Fragment Growing

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Structural Stability Predicts the Binding Mode of Protein–Ligand Complexes

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Are protein-ligand complexes robust structures?

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From Small to Powerful: The Fragments Universe and its “Chem-Appeal”

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Fragment-based drug design (FBDD)

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Synthesis of n-acetylglucosaminides dimers

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Recent Advancements in Docking Methodologies

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