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Molecular self-assembled helix peptide nanotubes based on some amino acid molecules and their dipeptides: molecular modeling studies
ContextThe paper considers the features of the structure and dipole moments of several amino acids and their dipeptides which play an important role...
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An arginine-rich peptide inhibits AChE: template-based design, molecular modeling, synthesis, and biological evaluation
Life expectancy is growing especially in developed countries. In this regard, aging-associated diseases such as Alzheimer’s disease (AD) are more...
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Design of amyloidogenic peptide traps
Segments of proteins with high β-strand propensity can self-associate to form amyloid fibrils implicated in many diseases. We describe a general...
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Docking-Based Prediction of Peptide Binding to MHC Proteins
Major histocompatibility complex (MHC) proteins are the most polymorphic and polygenic proteins in humans. They bind peptides, derived from cleavage...
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Anticancer activity of peptide W-0803 derived from Anoplophoa glabripennis
Natural compounds are known as a resource of anti-cancer agents. Anti-cancer capacity toward human epithelial lung cancer cell lines (A549, H460) was...
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Carbon nanotubes functionalized with α-aminoisobutyric acid-containing peptide increase gene delivery efficiency in plant mitochondria
AbstractFunctionalized carbon nanotubes have shown tremendous promise in the field of plant biotechnology for genetic engineering and cargo delivery;...
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Conjugation with the Carrier Helped to Reveal acidification-Induced Structural Shift in the Peptide from Phospholipase Domain of Parvovirus B19
Spectroscopic studies on domains and peptides of large proteins are complicated because of the tendency of short peptides to form oligomers in...
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Peptide collision cross sections of 22 post-translational modifications
Recent advances have rekindled the interest in ion mobility as an additional dimension of separation in mass spectrometry (MS)-based proteomics. Ion...
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Signal peptide mimicry primes Sec61 for client-selective inhibition
Preventing the biogenesis of disease-relevant proteins is an attractive therapeutic strategy, but attempts to target essential protein biogenesis...
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Improved Antimicrobial Activity of Bovine Lactoferrin Peptide (LFcinB) Based on Rational Design
Bovine lactoferrin peptide (LFcinB), as an antimicrobial peptide, is expected to be an alternative of antibiotics owing to its broad-spectrum...
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Breaking barriers in electrochemical biosensing using bioinspired peptide and phage probes
Electrochemical biosensing continues to advance tirelessly, overcoming barriers that have kept it from leaving research laboratories for many years....
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Identification Novel Salty-Enhancing Peptides from Sea Cucumber Collagen: AlphaFold2 Modeling and Molecular Simulation
Increasing consumer demand for healthier and tastier food options has spurred interest in identifying novel salty-enhancing peptides. This study...
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Structural basis for translation inhibition by the glycosylated drosocin peptide
The proline-rich antimicrobial peptide (PrAMP) drosocin is produced by Drosophila species to combat bacterial infection. Unlike many PrAMPs, drosocin...
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Chasing weakly-bound biological water in aqueous environment near the peptide backbone by ultrafast 2D infrared spectroscopy
There has been a long-standing debate as to how many hydrogen bonds a peptide backbone amide can form in aqueous solution. Hydrogen-bonding...
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In Silico Analysis of Peptide Macrocycle –Protein Interactions
Peptide macrocycles possess characteristics that make them ideal as drug candidates, molecular recognition elements, and a variety of other...
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Discovery of Antimicrobial Peptide Macrocycles Through Bacterial Display
Peptide macrocycles exhibit great ability to inhibit bacterial growth making them a promising new avenue for antimicrobial discovery. Surface...
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Exploring binding positions and backbone conformations of peptide ligands of proteins with a backbone-centred statistical energy function
When designing peptide ligands based on the structure of a protein receptor, it can be very useful to narrow down the possible binding positions and...
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Quasi-SMILES as a Tool for Peptide QSAR Modelling
PeptidesPeptides have played an attractive role since a few decades in the discovery of new drugs in various areas involving hormones,...
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The Impact of Terminal Peptide Extensions of Retinal Inosine 5´Monophosphate Dehydrogenase 1 Isoforms on their DNA-binding Activities
The main structural difference between the mutation-susceptible retinal isoforms of inosine 5´-monophosphate dehydrogenase-1 (IMPDH-1) with the...
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A semiempirical method optimized for modeling proteins
ContextIn recent years, semiempirical methods such as PM6, PM6-D3H4, and PM7 have been increasingly used for modeling proteins, in particular...
