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Molecular Dynamics Simulations of the 30S Ribosomal Subunit Reveal a Preferred Tetracycline Binding Site

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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/cbic.200600535openalex-snapshot
Protonation Patterns in Tetracycline:Tet Repressor Recognition: Simulations and Experiments
inferredcites →https://doi.org/10.1007/1-4020-3587-x_14openalex-snapshot
Free Energy Calculations
inferredcites →https://doi.org/10.1007/978-3-642-70304-1openalex-snapshot
The Tetracyclines
inferredcites →https://doi.org/10.1007/bf00217518openalex-snapshot
Throwing a spanner in the works: antibiotics and the translation apparatus
inferredcites →https://doi.org/10.1007/s001090050044openalex-snapshot
Throwing a spanner in the works: antibiotics and the translation apparatus
inferredcites →https://doi.org/10.1016/s0092-8674(00)00216-6openalex-snapshot
The Structural Basis for the Action of the Antibiotics Tetracycline, Pactamycin, and Hygromycin B on the 30S Ribosomal Subunit
inferredcites →https://doi.org/10.1021/ar010030mopenalex-snapshot
Free Energy Simulations Come of Age: Protein−Ligand Recognition
inferredcites →https://doi.org/10.1021/ja00153a017openalex-snapshot
An all-atom empirical energy function for the simulation of nucleic acids
inferredcites →https://doi.org/10.1021/ja025660dopenalex-snapshot
Molecular Dynamics Simulations and Thermodynamics Analysis of DNA−Drug Complexes. Minor Groove Binding between 4‘,6-Diamidino-2-phenylindole and DNA Duplexes in Solution
inferredcites →https://doi.org/10.1021/jp973084fopenalex-snapshot
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
inferredcites →https://doi.org/10.1038/nrmicro818openalex-snapshot
Pathogenic Escherichia coli
inferredcites →https://doi.org/10.1063/1.445869openalex-snapshot
Comparison of simple potential functions for simulating liquid water
inferredcites →https://doi.org/10.1080/10409230500326334openalex-snapshot
The Ribosomal Peptidyl Transferase Center: Structure, Function, Evolution, Inhibition
inferredcites →https://doi.org/10.1093/nar/gkh583openalex-snapshot
Mapping of the second tetracycline binding site on the ribosomal small subunit of E.coli
inferredcites →https://doi.org/10.1126/science.1060089openalex-snapshot
Crystal Structure of the Ribosome at 5.5 Å Resolution
inferredcites →https://doi.org/10.1126/science.1096361openalex-snapshot
The Many Roles of Computation in Drug Discovery
inferredcites →https://doi.org/10.1126/science.1131091openalex-snapshot
Tunable Quasi-Two-Dimensional Electron Gases in Oxide Heterostructures
inferredcites →https://doi.org/10.1126/science.1131127openalex-snapshot
Structure of the 70 S Ribosome Complexed with mRNA and tRNA
inferredcites →https://doi.org/10.1128/aac.42.7.1702openalex-snapshot
16S rRNA Mutation Associated with Tetracycline Resistance in a Gram-Positive Bacterium
inferredcites →https://doi.org/10.1128/mmbr.65.2.232-260.2001openalex-snapshot
Tetracycline Antibiotics: Mode of Action, Applications, Molecular Biology, and Epidemiology of Bacterial Resistance

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Improved Tetracycline Hydrochloride Removal Via Amide Groups Concealed by Polystyrene During Advanced Microalgal Treatment
inferred← citeshttps://doi.org/10.2139/ssrn.4813281openalex-extracted
Improved Tetracycline Hydrochloride Removal Via Amide Groups Concealed by Polystyrene During Advanced Microalgal Treatment
inferred← citeshttps://doi.org/10.1002/adma.201503948openalex-snapshot
Nanoscale Engineering of Designer Cellulosomes
inferred← citeshttps://doi.org/10.1002/jcc.21040openalex-snapshot
Molecular mechanics models for tetracycline analogs
inferred← citeshttps://doi.org/10.1002/jcc.26061openalex-snapshot
A Molecular Mechanics Model for Flavins
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Alchemical free energy simulations for biological complexes: powerful but temperamental …
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Nucleotide recognition by the initiation factor aIF5B: Free energy simulations of a neoclassical GTPase
inferred← citeshttps://doi.org/10.1007/s00018-009-0172-6openalex-snapshot
The tetracycline resistome
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Multifunctional dual drug-loaded Gel-Alg/MINO/MEL composite hydrogel for combating three-dimensional multi-species biofilm and experimental periodontitis treatment
inferred← citeshttps://doi.org/10.1007/s13738-020-01977-0openalex-snapshot
Self-association process of tetracycline antibiotic in different aqueous solutions: a joint experimental study and molecular dynamics simulation
inferred← citeshttps://doi.org/10.1016/b978-0-323-75608-2.00292-5openalex-snapshot
Antibacterial Agents
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Antibiotic and heavy metal co-contamination drives combined transmission of ARGs and VFs in soil pathogenic hosts
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2024.135346openalex-snapshot
Amide groups within polystyrene accelerates tetracycline removal in a continuous advanced microalgal treatment system
inferred← citeshttps://doi.org/10.1016/j.jmb.2008.03.022openalex-snapshot
Tet Repressor Induction by Tetracycline: A Molecular Dynamics, Continuum Electrostatics, and Crystallographic Study
inferred← citeshttps://doi.org/10.1016/j.molstruc.2023.136557openalex-snapshot
Rational utilization of 1,2,3-triazole scaffold in anti-MRSA drug development: Design strategies, structural insights and pharmacological outcomes
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inferred← citeshttps://doi.org/10.1021/acs.biochem.0c00761openalex-snapshot
Cyclodipeptide Synthases of the NYH Subfamily Recognize tRNA Using an α-Helix Enriched with Positive Residues
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00254openalex-snapshot
Additive CHARMM36 Force Field for Nonstandard Amino Acids
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c01313openalex-snapshot
Machines on Genes through the Computational Microscope
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Binding of Tetracyclines to Elongation Factor Tu, the Tet Repressor, and the Ribosome: A Molecular Dynamics Simulation Study
inferred← citeshttps://doi.org/10.1021/ja9012485openalex-snapshot
Nucleic Acids: Expanding the Structural and Functional Horizons
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Rapid Detection of Tetracyclines and Their 4-Epimer Derivatives from Poultry Meat with Bioluminescent Biosensor Bacteria
inferred← citeshttps://doi.org/10.1021/jp100579yopenalex-snapshot
Absolute Binding Free Energy Calculations of Sparsomycin Analogs to the Bacterial Ribosome
inferred← citeshttps://doi.org/10.1039/c0cp02828bopenalex-snapshot
Efficient solvent boundary potential for hybrid potential simulations
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Complex long-distance effects of mutations that confer linezolid resistance in the large ribosomal subunit
inferred← citeshttps://doi.org/10.1134/s0006297916130010openalex-snapshot
Investigation of ribosomes using molecular dynamics simulation methods
inferred← citeshttps://doi.org/10.11606/t.43.2014.tde-05112014-150910openalex-snapshot
Um tratamento multiescala (QM/MM) das propriedades espectroscópicas da tetraciclina e seus complexos com Mg e Eu em água
inferred← citeshttps://doi.org/10.1515/hsz-2013-0188openalex-snapshot
Determinants of the species selectivity of oxazolidinone antibiotics targeting the large ribosomal subunit
inferred← citeshttps://doi.org/10.23880/aabsc-16000188openalex-snapshot
A Battle Between Pathogens and Medicinal Chemistry: Tetracycline Generations and the Evolution of Resistance Mechanisms
inferred← citeshttps://doi.org/10.2527/jas.2010-3311openalex-snapshot
Feed supplemented with 3 different antibiotics improved food intake and decreased the activation of the humoral immune response in healthy weaned pigs but had differing effects on intestinal microbiota1
inferred← citeshttps://doi.org/10.3390/antibiotics13030270openalex-snapshot
Scientific Rationale and Clinical Basis for Clindamycin Use in the Treatment of Dermatologic Disease
inferred← citeshttps://doi.org/10.3390/medicina46040033openalex-snapshot
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Fundamental Processes in Flavoprotein Photochemistry
inferred← citeshttps://doi.org/10.7939/r3k43nopenalex-snapshot
Deletion or substitution of conserved amino acid residues at the tip of the domain IV of Tet(O) impairs tetracycline resistance
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