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Similarity Searching Using Fingerprints of Molecular Fragments Involved in Protein−Ligand Interactions
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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/cmdc.200800129openalex-snapshot
Integrating Structure‐ and Ligand‐Based Virtual Screening: Comparison of Individual, Parallel, and Fused Molecular Docking and Similarity Search Calculations on Multiple Targets
inferredcites →https://doi.org/10.1007/s00726-006-0361-7openalex-snapshot
Anti-SARS drug screening by molecular docking
inferredcites →https://doi.org/10.1016/j.drudis.2006.10.005openalex-snapshot
Similarity-based virtual screening using 2D fingerprints
inferredcites →https://doi.org/10.1021/ci600253eopenalex-snapshot
A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application
inferredcites →https://doi.org/10.1021/ci700052xopenalex-snapshot
Comparison of Topological, Shape, and Docking Methods in Virtual Screening
inferredcites →https://doi.org/10.1021/ci700271zopenalex-snapshot
Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring
inferredcites →https://doi.org/10.1021/jm030331xopenalex-snapshot
Structural Interaction Fingerprint (SIFt): A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions
inferredcites →https://doi.org/10.1021/jm050381xopenalex-snapshot
Knowledge-Based Design of Target-Focused Libraries Using Protein−Ligand Interaction Constraints
inferredcites →https://doi.org/10.1021/jm7012425openalex-snapshot
Discovery of Novel Agonists and Antagonists of the Free Fatty Acid Receptor 1 (FFAR1) Using Virtual Screening
inferredcites →https://doi.org/10.1038/nature03197openalex-snapshot
Virtual screening of chemical libraries
inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
Docking and scoring in virtual screening for drug discovery: methods and applications
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.1039/b409865jopenalex-snapshot
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
inferredcites →https://doi.org/10.1073/pnas.0510580103openalex-snapshot
Structure-based inhibitor design of AccD5, an essential acyl-CoA carboxylase carboxyltransferase domain of Mycobacterium tuberculosis
inferredcites →https://doi.org/10.2174/1381612053507549openalex-snapshot
New Methodologies for Ligand-Based Virtual Screening
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527645947.ch15openalex-snapshot
Prospects of Modulating Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1002/9783527665143.ch14openalex-snapshot
Molecular Interaction Fingerprints
inferred← citeshttps://doi.org/10.1002/chin.200916208openalex-snapshot
ChemInform Abstract: Similarity Searching Using Fingerprints of Molecular Fragments Involved in Protein—Ligand Interactions.
inferred← citeshttps://doi.org/10.1007/s00044-016-1553-7openalex-snapshot
Predicting potential antitumor targets of Aconitum alkaloids by molecular docking and protein–ligand interaction fingerprint
inferred← citeshttps://doi.org/10.1007/s11030-012-9403-0openalex-snapshot
GSA: a GPU-accelerated structure similarity algorithm and its application in progressive virtual screening
inferred← citeshttps://doi.org/10.1007/s11030-017-9750-yopenalex-snapshot
QSAR modeling and in silico design of small-molecule inhibitors targeting the interaction between E3 ligase VHL and HIF-1 $$\alpha $$ α
inferred← citeshttps://doi.org/10.1007/s11030-024-10808-wopenalex-snapshot
Multi-method computational evaluation of the inhibitors against leucine-rich repeat kinase 2 G2019S mutant for Parkinson's disease
inferred← citeshttps://doi.org/10.1016/j.csbj.2021.11.018openalex-snapshot
Structure-based protein–ligand interaction fingerprints for binding affinity prediction
inferred← citeshttps://doi.org/10.1016/j.jtbi.2013.08.013openalex-snapshot
iCDI-PseFpt: Identify the channel–drug interaction in cellular networking with PseAAC and molecular fingerprints
inferred← citeshttps://doi.org/10.1016/j.pbiomolbio.2014.05.006openalex-snapshot
Polypharmacology rescored: Protein–ligand interaction profiles for remote binding site similarity assessment
inferred← citeshttps://doi.org/10.1021/ci1001197openalex-snapshot
Rationalization of the Performance and Target Dependence of Similarity Searching Incorporating Protein−Ligand Interaction Information
inferred← citeshttps://doi.org/10.1021/ci300034xopenalex-snapshot
PROLIX: Rapid Mining of Protein–Ligand Interactions in Large Crystal Structure Databases
inferred← citeshttps://doi.org/10.1021/ci300566nopenalex-snapshot
Encoding Protein–Ligand Interaction Patterns in Fingerprints and Graphs
inferred← citeshttps://doi.org/10.1021/ci500243hopenalex-snapshot
Computational Prediction of a Putative Binding Site on Drp1: Implications for Antiparkinsonian Therapy
inferred← citeshttps://doi.org/10.1021/ci900015bopenalex-snapshot
Unconventional 2D Shape Similarity Method Affords Comparable Enrichment as a 3D Shape Method in Virtual Screening Experiments
inferred← citeshttps://doi.org/10.1021/ci900212vopenalex-snapshot
Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis
inferred← citeshttps://doi.org/10.1021/ci9004223openalex-snapshot
Atom-Centered Interacting Fragments and Similarity Search Applications
inferred← citeshttps://doi.org/10.1038/s41598-017-11924-4openalex-snapshot
From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns
inferred← citeshttps://doi.org/10.1080/1062936x.2020.1825014openalex-snapshot
Exploring RdRp–remdesivir interactions to screen RdRp inhibitors for the management of novel coronavirus 2019-nCoV
inferred← citeshttps://doi.org/10.1080/17460441.2019.1654453openalex-snapshot
Dealing with frequent hitters in drug discovery: a multidisciplinary view on the issue of filtering compounds on biological screenings
inferred← citeshttps://doi.org/10.1093/bib/bbw105openalex-snapshot
Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening
inferred← citeshttps://doi.org/10.1111/cbdd.13344openalex-snapshot
3D‐quantitative structure‐activity relationship study for the design of novel enterovirus A71 3C protease inhibitors
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00829.xopenalex-snapshot
Utilizing Target–Ligand Interaction Information in Fingerprint Searching for Ligands of Related Targets
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00890.xopenalex-snapshot
Three‐Dimensional Protein–Ligand Interaction Scaling of Two‐Dimensional Fingerprints
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2010.01007.xopenalex-snapshot
Computational Methodologies for Compound Database Searching that Utilize Experimental Protein–Ligand Interaction Information
inferred← citeshttps://doi.org/10.1186/s12859-017-1750-5openalex-snapshot
Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints
inferred← citeshttps://doi.org/10.1186/s13321-021-00545-9openalex-snapshot
2D SIFt: a matrix of ligand-receptor interactions
inferred← citeshttps://doi.org/10.1186/s13321-024-00822-3openalex-snapshot
Systematic analysis, aggregation and visualisation of interaction fingerprints for molecular dynamics simulation data
inferred← citeshttps://doi.org/10.1517/17460441.2010.486830openalex-snapshot
Advances in 2D fingerprint similarity searching
inferred← citeshttps://doi.org/10.2174/138620711795767802openalex-snapshot
The Design and Application of Target-Focused Compound Libraries
inferred← citeshttps://doi.org/10.3390/molecules25204723openalex-snapshot
Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches
inferred← citeshttps://doi.org/10.4155/ebo.13.106openalex-snapshot
Integrating structure-and ligand-based approaches for computer-aided drug design
inferred← citeshttps://doi.org/10.4155/fmc.11.18openalex-snapshot
Integrating Structure-Based and Ligand-Based Approaches for Computational Drug Design
inferred← citeshttps://doi.org/10.4155/fmc.12.126openalex-snapshot
Fingerprint Design And Engineering Strategies: Rationalizing And Improving Similarity Search Performance
inferred← citeshttps://doi.org/10.48550/arxiv.2111.03227openalex-snapshot
SPECTRe: Substructure Processing, Enumeration, and Comparison Tool Resource: An efficient tool to encode all substructures of molecules represented in SMILES
inferred← citeshttps://doi.org/10.6084/m9.figshare.16590419openalex-snapshot
Additional file 1 of 2D SIFt: a matrix of ligand-receptor interactions
inferred← citeshttps://doi.org/10.6084/m9.figshare.26692564openalex-snapshot
Additional file 1 of Systematic analysis, aggregation and visualisation of interaction fingerprints for molecular dynamics simulation data
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