ReviewOrganic & biomolecular chemistry2017
Molecular simulations of peptide amphiphiles.
Review in Organic & biomolecular chemistry, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- Molecular Dynamics Simulations of Self-Assembled EACS physical chemistry Au · 2025Article
- Molecular Theory: A Tool for Predicting the Outcome of Self-Assembly of Polymers, Nanoparticles, Amphiphiles, and Other Soft Materials.ACS omega · 2022Review
- Synthesis, Self-Assembly, and Cell Responses of Aromatic IKVAV Peptide Amphiphiles.Molecules (Basel, Switzerland) · 2022Article
- How the Choice of Force-Field Affects the Stability and Self-Assembly Process of Supramolecular CTA Fibers.Journal of chemical theory and computation · 2022Article
- Influence of lecithin cholesterol acyltransferase alteration during different pathophysiologic conditions: A 45 years bibliometrics analysis.Frontiers in pharmacology · 2022Article
- Molecular Recognition of the Self-Assembly Mechanism of Glycosyl Amino Acetate-Based Hydrogels.ACS omega · 2021Article
- A crosslinked colloidal network of peptide/nucleic base amphiphiles for targeted cancer cell encapsulation.Chemical science · 2021Article
- Article
- Biomaterials for Three-Dimensional Cell Culture: From Applications in Oncology to Nanotechnology.Nanomaterials (Basel, Switzerland) · 2021Review
- The Interaction of Supramolecular Anticancer Drug Amphiphiles with Phospholipid Membranes.Nanoscale advances · 2021Article
- Martini Coarse-Grained Model of Hyaluronic Acid for the Structural Change of Its Gel in the Presence of Monovalent and Divalent Salts.International journal of molecular sciences · 2020Article
- A comparison of peptide amphiphile nanofiber macromolecular assembly strategies.The European physical journal. E, Soft matter · 2019Article
- Supramolecular Tripeptide Hydrogel Assembly with 5-Fluorouracil.Gels (Basel, Switzerland) · 2019Article
- Molecular Dynamics Simulations of Supramolecular Anticancer Nanotubes.Journal of chemical information and modeling · 2018Article
- Supramolecular Nucleoside-Based Gel: Molecular Dynamics Simulation and Characterization of Its Nanoarchitecture and Self-Assembly Mechanism.Langmuir : the ACS journal of surfaces and colloids · 2018Article
- Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments.Chemical Society reviews · 2018Review
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
This review describes recent progress in the area of molecular simulations of peptide assemblies, including peptide-amphiphiles and drug-amphiphiles. The ability to predict the structure and stability of peptide self-assemblies from the molecular level up is vital to the field of nanobiotechnology. Computational methods such as molecular dynamics offer the opportunity to characterize intermolecular forces between peptide-amphiphiles that are critical to the self-assembly process. Furthermore, these computational methods provide the ability to computationally probe the structure of these supramolecular assemblies at the molecular level, which is a challenge experimentally. Herein, we briefly highlight progress in the areas of all-atomistic and coarse-grained simulation studies investigating the self-assembly process of short peptides and peptide amphiphiles. We also discuss recent all-atomistic and coarse-grained simulations of the self-assembly of a drug-amphiphile into elongated filaments. Next, we discuss how these computational methods can provide further insight into the pathway of cylindrical nanofiber formation and predict their biocompatibility by studying the interaction of these peptide-amphiphile nanostructures with model cell membranes.
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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.