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Rationalizing Tight Ligand Binding through Cooperative Interaction Networks
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Network analysis of protein-protein interaction
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Molecular structure of hydrogen bonded N,N′-diethylurea in non-polar solvents
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Small-world view of the amino acids that play a key role in protein folding
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Discrete Breathers in Nonlinear Network Models of Proteins
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The Cambridge Structural Database: a quarter of a million crystal structures and rising
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The CCP4 suite: programs for protein crystallography
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Do all backbone polar groups in proteins form hydrogen bonds?
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Cooperative hydrogen bond interactions in the streptavidin–biotin system
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Cooperative hydrogen bonding in amyloid formation
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CREDO: A Protein–Ligand Interaction Database for Drug Discovery
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Scaffold hopping via ANCHOR.QUERY: β-lactams as potent p53-MDM2 antagonists
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Artificial macrocycles as IL-17A/IL-17RA antagonists
inferred← citeshttps://doi.org/10.1039/d4en00144copenalex-snapshot
Metalloenzyme-inspired approach to the design and applications of phosphatase-mimetic nanozymes. Bridging the inorganic and organic worlds
inferred← citeshttps://doi.org/10.1039/d5cc06025gopenalex-snapshot
Innovative integration of molecular docking and machine learning for drug discovery: from virtual screening to nanomolar inhibitors
inferred← citeshttps://doi.org/10.1042/bcj20200780openalex-snapshot
A pipeline to evaluate inhibitors of the Pseudomonas aeruginosa exotoxin U
inferred← citeshttps://doi.org/10.1080/08927022.2026.2709397openalex-snapshot
Designing NPC1 inhibitors to halt Ebola virus progression: disrupting the hydrophobic loop-cavity interaction between NPC1-C and GPcl using combined molecular dynamics and experimental inhibitor comparison
inferred← citeshttps://doi.org/10.1080/17460441.2019.1619692openalex-snapshot
Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design
inferred← citeshttps://doi.org/10.1101/2020.06.24.170373openalex-snapshot
Evaluation of ExoU inhibitors in a Pseudomonas aeruginosa scratch infection assay
inferred← citeshttps://doi.org/10.1109/agers67633.2025.11446444openalex-snapshot
De Novo Design of Gram-Negative Antibacterial Compounds Using Junction-Tree Variational Autoencoders and Computational Screening
inferred← citeshttps://doi.org/10.1109/bibe.2017.00-29openalex-snapshot
CALI: A Novel Visual Model for Frequent Pattern Mining in Protein-Ligand Graphs
inferred← citeshttps://doi.org/10.1111/cbdd.12631openalex-snapshot
Considerations of Protein Subpockets in Fragment‐Based Drug Design
inferred← citeshttps://doi.org/10.1134/s0012500816110100openalex-snapshot
Quadrupole correction for halogen bonding description in virtual screening and molecular docking
inferred← citeshttps://doi.org/10.1186/s12967-026-07970-0openalex-snapshot
A small‑molecule HDAC/PDE modulator activates human adipocyte UCP1 and resolves inflammatory signaling
inferred← citeshttps://doi.org/10.2174/1389203717666160724211231openalex-snapshot
Determinants of Macromolecular Specificity from Proteomics-De rived Peptide Substrate Data
inferred← citeshttps://doi.org/10.2174/1389557516999160612163350openalex-snapshot
Protein Structure Network-based Drug Design
inferred← citeshttps://doi.org/10.2533/chimia.2023.489openalex-snapshot
Details Matter in Structure-based Drug Design
inferred← citeshttps://doi.org/10.26434/chemrxiv.12110760openalex-snapshot
Gliptin Repurposing for COVID-19
inferred← citeshttps://doi.org/10.26434/chemrxiv.12110760.v1openalex-snapshot
Gliptin Repurposing for COVID-19
inferred← citeshttps://doi.org/10.33612/diss.150386440openalex-snapshot
Fragment-based Discovery Aiming at a Novel Modulation of Malate Dehydrogenase and Beyond
inferred← citeshttps://doi.org/10.3389/fchem.2021.641610openalex-snapshot
Conformational Shifts of Stacked Heteroaromatics: Vacuum vs. Water Studied by Machine Learning
inferred← citeshttps://doi.org/10.3389/fphar.2018.01089openalex-snapshot
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
inferred← citeshttps://doi.org/10.3390/biology11081109openalex-snapshot
Targeting the Ubiquinol-Reduction (Qi) Site of the Mitochondrial Cytochrome bc1 Complex for the Development of Next Generation Quinolone Antimalarials
inferred← citeshttps://doi.org/10.3390/ijms232315018openalex-snapshot
Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features
inferred← citeshttps://doi.org/10.3390/molecules27238282openalex-snapshot
Computer- and NMR-Aided Design of Small-Molecule Inhibitors of the Hub1 Protein
inferred← citeshttps://doi.org/10.4155/9781909453012openalex-snapshot
In Silico Drug Discovery and Design
inferred← citeshttps://doi.org/10.4155/ebo.13.181openalex-snapshot
Molecular docking and structure-based virtual screening
inferred← citeshttps://doi.org/10.56499/jppres23.1818_12.4.628openalex-snapshot
Anti-rheumatoid arthritis potential of Acorus calamus L. extract by interleukin-17 inhibition: Molecular insights through an in silico study
inferred← citeshttps://doi.org/10.5772/intechopen.72994openalex-snapshot
Molecular Docking in Halogen Bonding
inferred← citeshttps://doi.org/10.5936/csbj.201302006openalex-snapshot
SMALL WORLD NETWORK STRATEGIES FOR STUDYING PROTEIN STRUCTURES AND BINDING
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