ArticleThe journal of physical chemistry. B2018
Peptide Solubility Limits: Backbone and Side-Chain Interactions.
Article in The journal of physical chemistry. B, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Enhancing Peptide Hydrophilicity of SPPS-Derived Peptides Using Fmoc Noncanonical Amino Acids: A Review.ACS biomaterials science & engineering · 2026Review
- Structure-guided design of a novel, stable, and soluble Cecropin A variant for antimicrobial therapeutic applications.Scientific reports · 2025Article
- Strategic targeting of AckA in Mycobacterium tuberculosis using peptide inhibitors.Archives of microbiology · 2025Article
- Peptide diffusion in biomolecular condensates.Biophysical journal · 2024Article
- Backbone interactions and secondary structures in phase separation of disordered proteins.Biochemical Society transactions · 2024Review
- PeptideBERT: A Language Model Based on Transformers for Peptide Property Prediction.The journal of physical chemistry letters · 2023Article
- Characterization and Classification In Silico of Peptides with Dual Activity (Antimicrobial and Wound Healing).International journal of molecular sciences · 2023Article
- Dock-able linear and homodetic di, tri, tetra and pentapeptide library from canonical amino acids: SARS-CoV-2 Mpro as a case study.Journal of pharmaceutical analysis · 2023Article
- Effects of Conformational Constraint on Peptide Solubility Limits.The journal of physical chemistry. B · 2022Article
- Phase separation in amino acid mixtures is governed by composition.Biophysical journal · 2022Article
- Targeting PirAAntibiotics (Basel, Switzerland) · 2021Article
- Thermodynamic Compensation in Peptides Following Liquid-Liquid Phase Separation.The journal of physical chemistry. B · 2021Article
- Solid-state packing dictates the unexpected solubility of aromatic peptides.Cell reports. Physical science · 2021Article
- Preparation and Preliminary Evaluation of Neurotensin Radiolabelled withPharmaceutics · 2021Article
- Physical Chemistry of the Protein Backbone: Enabling the Mechanisms of Intrinsic Protein Disorder.The journal of physical chemistry. B · 2020Review
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
We calculate the solubility limit of pentapeptides in water by simulating the phase separation in an oversaturated aqueous solution. The solubility limit order followed by our model peptides (GGRGG > GGDGG > GGGGG > GGVGG > GGQGG > GGNGG > GGFGG) is found to be the same as that reported for amino acid monomers from experiment (R > D > G > V > Q > N > F). Investigation of dynamical properties of peptides shows that the higher the solubility of a peptide is, the lower the time spent by the peptide in the aggregated cluster is. We also demonstrate that fluctuations in conformation and hydration number of peptide in monomeric form are correlated with the solubility of the peptide. We considered energetic mechanisms and dynamical properties of interbackbone CO-CO and CO···HN interactions. Our results confirm that CO-CO interactions more than the interbackbone H-bonds are important in peptide self-assembly and association. Further, we find that the stability of H-bonded peptide pairs arises mainly from coexisting CO-CO and CO···HN interactions.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.