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2D Depiction of Protein−Ligand Complexes

https://doi.org/10.1021/ci7001473
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Practical Optimization

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inferred← citeshttps://doi.org/10.2142/biophysico.bppb-v20.0005openalex-snapshot
General anesthetic binding mode via hydration with weak affinity and molecular discrimination: General anesthetic dissolution in interfacial water of the common binding site of GABAA receptor
inferred← citeshttps://doi.org/10.2174/0118715206354755241220062707openalex-snapshot
A Systematic Quantitative Approach to Rational Drug Design and the Discovery of Novel Human Antigen R (HuR) Inhibitors
inferred← citeshttps://doi.org/10.2478/acph-2021-0032openalex-snapshot
Esters of quinoxaline-7-carboxylate-1,4-di- N -oxide as Trichomonas vaginalis triosephosphate isomerase inhibitors
inferred← citeshttps://doi.org/10.29039/rusjbpc.2022.0535openalex-snapshot
INTERACTION OF THE YERSINIA PSEUDOTUBERCULOSIS OMPF PORIN CHANNEL WITH NORFLOXACIN
inferred← citeshttps://doi.org/10.3109/14756366.2015.1016514openalex-snapshot
Design, synthesis, antimicrobial evaluation and molecular docking studies of some new 2,3-dihydrothiazoles and 4-thiazolidinones containing sulfisoxazole
inferred← citeshttps://doi.org/10.3389/fchem.2019.00237openalex-snapshot
Molecular Dynamics Investigations Suggest a Non-specific Recognition Strategy of 14-3-3σ Protein by Tweezer: Implication for the Inhibition Mechanism
inferred← citeshttps://doi.org/10.3389/fphar.2025.1576390openalex-snapshot
Chromene flavanones from Dalea boliviana as xanthine oxidase inhibitors: in vitro biological evaluation and molecular docking studies
inferred← citeshttps://doi.org/10.3390/bacteria5030059openalex-snapshot
Hydroquinine, a Cinchona Alkaloid, Exhibits Antibacterial Activity Against Pathogenic Bacteria by Targeting the Arginine/Ornithine Antiporter (AOA) in the ADI Pathway
inferred← citeshttps://doi.org/10.3390/biom13111575openalex-snapshot
8-Hydroxydaidzein Induces Apoptosis and Inhibits AML-Associated Gene Expression in U-937 Cells: Potential Phytochemical for AML Treatment
inferred← citeshttps://doi.org/10.3390/biom9100621openalex-snapshot
Beyond Chelation: EDTA Tightly Binds Taq DNA Polymerase, MutT and dUTPase and Directly Inhibits dNTPase Activity
inferred← citeshttps://doi.org/10.3390/cancers12092496openalex-snapshot
Combined Methylome and Transcriptome Analyses Reveals Potential Therapeutic Targets for EGFR Wild Type Lung Cancers with Low PD-L1 Expression
inferred← citeshttps://doi.org/10.3390/cells11244069openalex-snapshot
eIF4A/PDCD4 Pathway, a Factor for Doxorubicin Chemoresistance in a Triple-Negative Breast Cancer Cell Model
inferred← citeshttps://doi.org/10.3390/ijerph16060923openalex-snapshot
A Molecular Docking Approach to Evaluate the Pharmacological Properties of Natural and Synthetic Treatment Candidates for Use against Hypertension
inferred← citeshttps://doi.org/10.3390/ijms22168808openalex-snapshot
Betulin Sulfonamides as Carbonic Anhydrase Inhibitors and Anticancer Agents in Breast Cancer Cells
inferred← citeshttps://doi.org/10.3390/ijms221910730openalex-snapshot
Molecular Mechanism of the Anti-Inflammatory Action of Heparin
inferred← citeshttps://doi.org/10.3390/ijms23052857openalex-snapshot
Novel Design of Neuropeptide-Based Drugs with β-Sheet Breaking Potential in Amyloid-Beta Cascade: Molecular and Structural Deciphers
inferred← citeshttps://doi.org/10.3390/molecules15064041openalex-snapshot
Receptor-Based Virtual Screening of EGFR Kinase Inhibitors from the NCI Diversity Database
inferred← citeshttps://doi.org/10.3390/molecules25163589openalex-snapshot
Synthesis, Docking, Computational Studies, and Antimicrobial Evaluations of New Dipeptide Derivatives Based on Nicotinoylglycylglycine Hydrazide
inferred← citeshttps://doi.org/10.3390/molecules26154625openalex-snapshot
MolADI: A Web Server for Automatic Analysis of Protein–Small Molecule Dynamic Interactions
inferred← citeshttps://doi.org/10.3390/molecules28083337openalex-snapshot
In Vitro and In Silico Studies on Angiotensin I-Converting Enzyme Inhibitory Peptides Found in Hydrophobic Domains of Porcine Elastin
inferred← citeshttps://doi.org/10.3390/ph14101011openalex-snapshot
Zinc Binding to NAP-Type Neuroprotective Peptides: Nuclear Magnetic Resonance Studies and Molecular Modeling
inferred← citeshttps://doi.org/10.3390/pharmaceutics16091179openalex-snapshot
Auraptene Boosts the Efficacy of the Tamoxifen Metabolites Endoxifen and 4-OH-Tamoxifen in a Chemoresistant ER+ Breast Cancer Model
inferred← citeshttps://doi.org/10.4018/978-1-5225-0115-2.ch005openalex-snapshot
Protein Ligand Interaction Fingerprints
inferred← citeshttps://doi.org/10.4018/978-1-5225-1762-7.ch041openalex-snapshot
Protein Ligand Interaction Fingerprints
inferred← citeshttps://doi.org/10.5812/jjm-161457openalex-snapshot
Computational Identification of Phytochemical Inhibitors Against White Spot Syndrome Virus dUTPase: A Potential Antiviral Approach
inferred← citeshttps://doi.org/10.6084/m9.figshare.16590419openalex-snapshot
Additional file 1 of 2D SIFt: a matrix of ligand-receptor interactions
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