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Low-molecular-weight dehydropeptides represent a promising class of hydrogelators, owing to their enhanced proteolytic stability, high self-assembly propensity, biocompatibility, and tunable rheological and drug-release properties. Herein, we prepared a small library of N-succinylated dehydrotripeptides (Suc-L-Xaa-L-Phe-Z-\u0394Phe-OMe\/-OH; Xaa = Phe or Val), together with the canonical analogs (Suc-L-Phe-L-Phe-L-Phe-OMe\/-OH), to assess whether in addition to proteolytic resistance, dehydropeptides offer clear advantages over canonical peptides in terms of self-assembly, gelation efficacy, mechanical performance, and cargo release. Peptide self-assembly, hydrogel formation, and supramolecular organization were investigated by fluorescence and circular dichroism (CD) spectroscopy, molecular dynamic (MD) simulations, Thioflavin T hydrogel staining, ATR-FTIR spectroscopy, transmission electron microscopy (TEM), and rheological measurements. Drug-release performance was evaluated using methyl orange as a model cargo. Overall, the dehydropeptide-based hydrogels displayed enhanced gelation efficacy, improved mechanical properties, and sustained release profiles compared to canonical analogs. Spectroscopic analysis (CD and ATR-FTIR) and molecular dynamic simulations indicated that the dehydropeptides preferentially self-assemble into more ordered supramolecular fibrils, with extended \u03b2-sheet-like packing, whereas the canonical peptides predominantly populate more disordered backbone environments. Proteolysis assays with \u03b1-chymotrypsin revealed that both canonical and dehydropeptide methyl esters underwent chymotrypsin-catalyzed ester hydrolysis. Importantly, only the canonical dicarboxylic acid underwent further proteolytic degradation. The dehydropeptide dicarboxylic acids revealed fully resistant to proteolysis over extended time periods. These results demonstrate that the incorporation of dehydroamino acid into peptides enables control over supramolecular packing, nanofibrillar network architecture, rheology, and cargo release. This report raises the profile of relatively underexplored dehydropeptide-based soft materials as promising high-performance biomaterials for technological and biomedical applications.<\/jats:p>","DOI":"10.3390\/gels12040299","type":"journal-article","created":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T14:59:01Z","timestamp":1775055541000},"page":"299","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["N-Succinylated Canonical vs. Dehydropeptides: Contrasting Self-Assembly Pathways and Hydrogel Properties"],"prefix":"10.3390","volume":"12","author":[{"ORCID":"https:\/\/orcid.org\/0009-0005-7380-3992","authenticated-orcid":false,"given":"Teresa","family":"Pereira","sequence":"first","affiliation":[{"name":"Center of Chemistry, University of Minho, 4710-057 Braga, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4816-6371","authenticated-orcid":false,"given":"Andr\u00e9 F.","family":"Carvalho","sequence":"additional","affiliation":[{"name":"Center of Chemistry, University of Minho, 4710-057 Braga, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8786-0086","authenticated-orcid":false,"given":"Filipe","family":"Teixeira","sequence":"additional","affiliation":[{"name":"Center of Chemistry, University of Minho, 4710-057 Braga, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2049-0185","authenticated-orcid":false,"given":"Andreia Patr\u00edcia","family":"Magalh\u00e3es","sequence":"additional","affiliation":[{"name":"Advanced (Magnetic) Theranostic Nanostructures Lab, International Iberian Nanotechnology Laboratory (INL), Av. Mestre Jos\u00e9 Veiga s\/n, 4715-330 Braga, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0384-7592","authenticated-orcid":false,"given":"David M.","family":"Pereira","sequence":"additional","affiliation":[{"name":"REQUIMTE\/LAQV, Laborat\u00f3rio de Farmacognosia, Departamento de Qu\u00edmica, Faculdade de Farm\u00e1cia, Universidade do Porto, R. Jorge Viterbo Ferreira, n 228, 4050-313 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9936-8088","authenticated-orcid":false,"given":"Loic","family":"Hilliou","sequence":"additional","affiliation":[{"name":"Institute for Polymers and Composites, University of Minho, 4800-058 Guimar\u00e3es, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4145-854X","authenticated-orcid":false,"given":"Antero","family":"Abrunhosa","sequence":"additional","affiliation":[{"name":"Coimbra Institute for Biomedical Engineering and Translational Research (CIBIT)\/Institute for Nuclear Sciences Applied to Health (ICNAS), University of Coimbra, 3000-548 Coimbra, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4319-2631","authenticated-orcid":false,"given":"Manuel","family":"Ba\u00f1obre-L\u00f3pez","sequence":"additional","affiliation":[{"name":"Advanced (Magnetic) Theranostic Nanostructures Lab, International Iberian Nanotechnology Laboratory (INL), Av. Mestre Jos\u00e9 Veiga s\/n, 4715-330 Braga, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3279-6731","authenticated-orcid":false,"given":"Paula M. T.","family":"Ferreira","sequence":"additional","affiliation":[{"name":"Center of Chemistry, University of Minho, 4710-057 Braga, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9323-3978","authenticated-orcid":false,"given":"Jos\u00e9 A.","family":"Martins","sequence":"additional","affiliation":[{"name":"Center of Chemistry, University of Minho, 4710-057 Braga, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2026,4,1]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1039\/D0RE00340A","article-title":"Artificial intelligence and automation in computer aided synthesis planning, reaction prediction, and condition optimization","volume":"6","author":"Thakkar","year":"2021","journal-title":"React. Chem. Eng."},{"key":"ref_2","doi-asserted-by":"crossref","unstructured":"He, C., Zhang, C., Bian, T., Jiao, K., Su, W., Wu, K.-J., and Su, A. (2023). A Review on Artificial Intelligence Enabled Design, Synthesis, and Process Optimization of Chemical Products for Industry 4.0. Processes, 11.","DOI":"10.3390\/pr11020330"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"8888","DOI":"10.1039\/D4CS01037J","article-title":"Advances in applied supramolecular technologies 2021\u20132025","volume":"54","author":"Balderston","year":"2025","journal-title":"Chem. Soc. Rev."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"9994","DOI":"10.1021\/acs.chemrev.0c00306","article-title":"Enzymatic Noncovalent Synthesis","volume":"120","author":"He","year":"2020","journal-title":"Chem. Rev."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"100644","DOI":"10.1016\/j.mtbio.2023.100644","article-title":"Self-assembled short peptides: Recent advances and strategies for potential pharmaceutical applications","volume":"20","author":"Yang","year":"2023","journal-title":"Mater. Today Bio"},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"5589","DOI":"10.1039\/C6CS00176A","article-title":"Peptide Self-Assembly: Thermodynamics and Kinetics","volume":"45","author":"Wang","year":"2016","journal-title":"Chem. Soc. Rev."},{"key":"ref_7","doi-asserted-by":"crossref","unstructured":"Jervis, P.J., Amorim, C., Pereira, T., Martins, J.A., and Ferreira, P.M.T. (2021). Dehydropeptide Supramolecular Hydrogels and Nanostructures as Potential Peptidomimetic Biomedical Materials. Int. J. Mol. Sci., 22.","DOI":"10.3390\/ijms22052528"},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"103066","DOI":"10.1016\/j.sbi.2025.103066","article-title":"Artificial intelligence methods for protein folding and design","volume":"93","author":"Zhang","year":"2025","journal-title":"Curr. Opin. Struct. Biol."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"e202100518","DOI":"10.1002\/cbic.202100518","article-title":"Self-Assembly of Unprotected Dipeptides into Hydrogels: Water-Channels Make the Difference","volume":"23","author":"Bellotto","year":"2021","journal-title":"ChemBioChem"},{"key":"ref_10","doi-asserted-by":"crossref","unstructured":"Das, S., and Das, D. (2021). Rational Design of Peptide-based Smart Hydrogels for Therapeutic Applications. Front. Chem., 9.","DOI":"10.3389\/fchem.2021.770102"},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"107752","DOI":"10.1016\/j.biotechadv.2021.107752","article-title":"Self-assembling peptide-based hydrogels: Fabrication, properties, and applications","volume":"49","author":"Fu","year":"2021","journal-title":"Biotechnol. Adv."},{"key":"ref_12","doi-asserted-by":"crossref","unstructured":"Binaymotlagh, R., Chronopoulou, L., Haghighi, F.H., Fratoddi, I., and Palocci, C. (2022). Peptide-Based Hydrogels: New Materials for Biosensing and Biomedical Applications. Materials, 15.","DOI":"10.3390\/ma15175871"},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"202400523","DOI":"10.1002\/mabi.202400523","article-title":"Hierarchical Self-Assembly of Short Peptides: Nanostructure Formation, Function Tailoring, and Applications","volume":"25","author":"Li","year":"2025","journal-title":"Macromol. Biosci."},{"key":"ref_14","first-page":"181","article-title":"Stimuli-responsive peptide assemblies: Design, self-assembly, modulation, and biomedical applications","volume":"35","author":"Mu","year":"2024","journal-title":"Bioact. Mater."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"384","DOI":"10.1021\/acsabm.2c01041","article-title":"Self-Assembly, Bioactivity, and Nanomaterials Applications of Peptide Conjugates with Bulky Aromatic Terminal Groups","volume":"6","author":"Hamley","year":"2023","journal-title":"ACS Appl. Bio Mater."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"127090","DOI":"10.1016\/j.polymer.2024.127090","article-title":"Unraveling the Influence of Aromatic Endcaps in Peptide Self-Assembly","volume":"302","author":"Li","year":"2024","journal-title":"Polymer"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"29401","DOI":"10.1039\/D3RA04514E","article-title":"A switch in N-terminal capping of \u03b2-peptides creates novel self-assembled nanoparticles","volume":"13","author":"Chen","year":"2023","journal-title":"RSC Adv."},{"key":"ref_18","doi-asserted-by":"crossref","unstructured":"Lucana, M.C., Arruga, Y., Petrachi, E., Roig, A., Lucchi, R., and Oller-Salvia, B. (2021). Protease-Resistant Peptides for Targeting and Intracellular Delivery of Therapeutics. Pharmaceutics, 13.","DOI":"10.3390\/pharmaceutics13122065"},{"key":"ref_19","doi-asserted-by":"crossref","unstructured":"Yang, B., Zhang, M., Weng, H., Xu, Y., and Zeng, L. (2020). Optimization of Ultrasound Assisted Extraction (UAE) of Kinsenoside Compound from Anoectochilus roxburghii (Wall.) Lindl by Response Surface Methodology (RSM). Molecules, 25.","DOI":"10.3390\/molecules25010193"},{"key":"ref_20","doi-asserted-by":"crossref","unstructured":"Castro, T.G., Melle-Franco, M., Sousa, C.E.A., Cavaco-Paulo, A., and Marcos, J.C. (2023). Non-Canonical Amino Acids as Building Blocks for Peptidomimetics: Structure, Function, and Applications. Biomolecules, 13.","DOI":"10.3390\/biom13060981"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1016\/j.jconrel.2024.12.052","article-title":"D-peptide hydrogels as a long-acting multipurpose drug delivery platform for combined contraception and HIV prevention","volume":"379","author":"Pentlavalli","year":"2024","journal-title":"J. Control. Release"},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"190","DOI":"10.1016\/j.actbio.2021.12.004","article-title":"A long-lasting guided bone regeneration membrane from sequentially functionalised photoactive atelocollagen","volume":"140","author":"Liang","year":"2022","journal-title":"Acta Biomater."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"122718","DOI":"10.1016\/j.biomaterials.2024.122718","article-title":"Biomedical applications of functional hydrogels: Innovative developments, relevant clinical trials and advanced products","volume":"312","author":"To","year":"2025","journal-title":"Biomaterials"},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"6355","DOI":"10.1039\/C5TB00501A","article-title":"New Self-Assembled Supramolecular Hydrogels Based on Dehydropeptides","volume":"3","author":"Pereira","year":"2015","journal-title":"J. Mater. Chem. B"},{"key":"ref_25","doi-asserted-by":"crossref","unstructured":"Carvalho, A., Gallo, J., Pereira, D.M., Valent\u00e3o, P., Andrade, P.B., Hilliou, L., Ferreira, P.M.T., Ba\u00f1obre-L\u00f3pez, M., and Martins, J.A. (2019). Magnetic Dehydrodipeptide-Based Self-Assembled Hydrogels for Theragnostic Applications. Nanomaterials, 9.","DOI":"10.3390\/nano9040541"},{"key":"ref_26","doi-asserted-by":"crossref","unstructured":"Amorim, C., Veloso, S.R.S., Castanheira, E.M.S., Hilliou, L., Pereira, R.B., Pereira, D.M., Martins, J.A., Jervis, P.J., and Ferreira, P.M.T. (2021). Bolaamphiphilic Bis-Dehydropeptide Hydrogels as Potential Drug Release Systems. Gels, 7.","DOI":"10.26434\/chemrxiv.14261903.v1"},{"key":"ref_27","doi-asserted-by":"crossref","unstructured":"Oliveira, C.B.P., Pereira, R.B., Pereira, D.M., Hilliou, L., Castro, T.G., Martins, J.A., Jervis, P.J., and Ferreira, P.M.T. (2022). Aryl-Capped Lysine-Dehydroamino Acid Dipeptide Supergelators as Potential Drug Release Systems. Int. J. Mol. Sci., 23.","DOI":"10.3390\/ijms231911811"},{"key":"ref_28","doi-asserted-by":"crossref","unstructured":"Vila\u00e7a, H., Carvalho, A., Castro, T., Castanheira, E.M.S.S., Hilliou, L., Hamley, I., Melle-Franco, M., Ferreira, P.M.T.T., and Martins, J.A. (2023). Unveiling the Role of Capping Groups in Naphthalene N-Capped Dehydrodipeptide Hydrogels. Gels, 9.","DOI":"10.3390\/gels9060464"},{"key":"ref_29","doi-asserted-by":"crossref","unstructured":"Oliveira, C.B.P., Gomes, V., Ferreira, P.M.T., Martins, J.A., and Jervis, P.J. (2022). Peptide-Based Supramolecular Hydrogels as Drug Delivery Agents: Recent Advances. Gels, 8.","DOI":"10.3390\/gels8110706"},{"key":"ref_30","doi-asserted-by":"crossref","unstructured":"Carvalho, A.F.G., Pereira, T., Oliveira, C., Figueiredo, P., Carvalho, A., Pereira, D.M., Hilliou, L., Ba\u00f1obre-L\u00f3pez, M., Xu, B., and Ferreira, P.M.T. (2025). Tripeptides featuring dehydrophenylalanine and homophenylalanine: Homo- versus hetero-chirality and sequence effects on self-assembly and gelation. Gels, 11.","DOI":"10.3390\/gels11030164"},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"8607","DOI":"10.1039\/C7TB01883E","article-title":"Self-assembled RGD dehydropeptide hydrogels for drug delivery applications","volume":"5","author":"Castro","year":"2017","journal-title":"J. Mater. Chem. B"},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"3697","DOI":"10.1039\/a904730a","article-title":"High yielding synthesis of dehydroamino acid and dehydropeptide derivatives","volume":"1","author":"Ferreira","year":"1999","journal-title":"J. Chem. Soc. Perkin Trans."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"12589","DOI":"10.1039\/D4TB01727G","article-title":"A Water Playground for Peptide Re-Assembly from Fibrils to Plates","volume":"12","author":"Adorinni","year":"2024","journal-title":"J. Mater. Chem. B"},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"100622","DOI":"10.1016\/j.colcom.2022.100622","article-title":"Hydrophobicity regulates self-assembly behavior of binding-induced fibrillogenesis peptides","volume":"48","author":"Gao","year":"2022","journal-title":"Colloid Interface Sci. Commun."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"4686","DOI":"10.1039\/D3SM00363A","article-title":"Self-Assembled Aggregates Based on Cationic Amphiphilic Peptides: Structural Insight","volume":"19","author":"Rosa","year":"2023","journal-title":"Soft Matter"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"43637","DOI":"10.1038\/srep43637","article-title":"Self-Assembly and Anti-Amyloid Cytotoxicity Activity of Amyloid Beta Peptide Derivatives","volume":"7","author":"Castelletto","year":"2017","journal-title":"Sci. Rep."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"4597","DOI":"10.1021\/bi8000616","article-title":"Self-Assembly and Hydrogelation of an Amyloid Peptide Fragment","volume":"47","author":"Krysmann","year":"2008","journal-title":"Biochemistry"},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"1470","DOI":"10.1021\/acs.langmuir.3c03214","article-title":"Self-Assembled Materials Based on Fully Aromatic Peptides: The Impact of Tryptophan, Tyrosine, and Dopa Residues","volume":"40","author":"Balasco","year":"2024","journal-title":"Langmuir"},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"2001","DOI":"10.1002\/cplu.202000464","article-title":"Constitutionally Isomeric Aromatic Tripeptides: Self-Assembly and Metal-Ion-Modulated Transformations","volume":"85","author":"Singh","year":"2020","journal-title":"ChemPlusChem"},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"2408634","DOI":"10.1002\/smll.202408634","article-title":"Molecular Propeller Tethering on a Dipeptide Induces a One-Step Conversion of Its Secondary Structure on Water Surface Promoted by Chiral Supramolecular Assembly","volume":"21","author":"Biswas","year":"2025","journal-title":"Small"},{"key":"ref_41","first-page":"112522","article-title":"Self-Assembly Pathways in a Triphenylalanine Peptide Capped with Aromatic Groups","volume":"215","author":"Gil","year":"2022","journal-title":"Colloids Surf. B Biointerfaces"},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"5286","DOI":"10.1021\/jp800107z","article-title":"Modeling \u03c0\u2013\u03c0 interactions with the effective fragment potential method: The benzene dimer and substituents","volume":"112","author":"Smith","year":"2008","journal-title":"J. Phys. Chem. A"},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"1856","DOI":"10.1039\/b901556f","article-title":"A new method for maintaining homogeneity during liquid\u2013hydrogel transitions using low molecular weight hydrogelators","volume":"5","author":"Adams","year":"2009","journal-title":"Soft Matter"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/13506129.2017.1304905","article-title":"ThT 101: A primer on the use of thioflavin T to investigate amyloid formation","volume":"24","author":"Malmos","year":"2017","journal-title":"Amyloid"},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"25339","DOI":"10.1002\/anie.202107063","article-title":"Mechanical enhancement and kinetics regulation of Fmoc-diphenylalanine hydrogels by Thioflavin T","volume":"60","author":"Tikhonova","year":"2021","journal-title":"Angew. Chem. Int. Ed."},{"key":"ref_46","doi-asserted-by":"crossref","unstructured":"Fortunato, A., and Mba, M. (2021). Metal Cation Triggered Peptide Hydrogels and Their Application in Food Freshness Monitoring and Dye Adsorption. Gels, 7.","DOI":"10.3390\/gels7030085"},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"469","DOI":"10.1002\/bip.360250307","article-title":"Examination of the Secondary Structure of Proteins by Deconvolved FTIR Spectra","volume":"25","author":"Byler","year":"1986","journal-title":"Biopolymers"},{"key":"ref_48","doi-asserted-by":"crossref","unstructured":"Warren, J.P., Culbert, M.P., Miles, D.E., Maude, S., Wilcox, R.K., and Beales, P.A. (2023). Controlling the Self-Assembly and Material Properties of \u03b2-Sheet Peptide Hydrogels by Modulating Intermolecular Interactions. Gels, 9.","DOI":"10.26434\/chemrxiv-2023-h2ngk"},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1039\/B811288F","article-title":"Self-Assembly and Gelation Properties of \u03b1-Helix versus \u03b2-Sheet Forming Peptides","volume":"5","author":"Saiani","year":"2009","journal-title":"Soft Matter"},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"3528","DOI":"10.1039\/b919449p","article-title":"Rheological properties of peptide-based hydrogels for biomedical and other applications","volume":"39","author":"Yan","year":"2010","journal-title":"Chem. Soc. Rev."},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"9447","DOI":"10.1021\/la900653q","article-title":"Fmoc-Diphenylalanine Self-Assembly Mechanism Induces Apparent pKa Shifts","volume":"25","author":"Tang","year":"2009","journal-title":"Langmuir"},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"6752","DOI":"10.1039\/c2nr32006a","article-title":"Unzipping the role of chirality in nanoscale self-assembly of tripeptide hydrogels","volume":"4","author":"Marchesan","year":"2012","journal-title":"Nanoscale"},{"key":"ref_53","unstructured":"Wojnarowska, Z., Grzybowska, K., Hawe\u0142ek, \u0141., Dulski, M., Wrzalik, R., Grzybowski, A., and Paluch, M. (2019). Mathematical Modelling of Release Kinetics from Supramolecular Drug Delivery Systems. Pharmaceutics, 11."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"4501","DOI":"10.1021\/cr000033x","article-title":"Serine Protease Mechanism and Specificity","volume":"102","author":"Hedstrom","year":"2002","journal-title":"Chem. Rev."},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"456","DOI":"10.1016\/j.jconrel.2013.05.025","article-title":"Understanding the correlation between in vitro and in vivo immunotoxicity tests for nanomedicines","volume":"172","author":"Dobrovolskaia","year":"2013","journal-title":"J. Control. Release"},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"1623","DOI":"10.1002\/jcc.10128","article-title":"Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation","volume":"23","author":"Jakalian","year":"2002","journal-title":"J. Comput. Chem."},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"6183","DOI":"10.1021\/acs.jcim.3c01153","article-title":"Amber Tools","volume":"63","author":"Case","year":"2023","journal-title":"J. Chem. Inf. Model."},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"10096","DOI":"10.1063\/1.1808117","article-title":"A modified TIP3P water potential for simulation with Ewald summation","volume":"121","author":"Price","year":"2004","journal-title":"J. Chem. Phys."},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"108171","DOI":"10.1016\/j.cpc.2021.108171","article-title":"LAMMPS\u2014A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales","volume":"271","author":"Thompson","year":"2022","journal-title":"Comput. Phys. Commun."},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"3345","DOI":"10.1080\/00268976.2013.813594","article-title":"Using collective variables to drive molecular dynamics simulations","volume":"111","author":"Fiorin","year":"2013","journal-title":"Mol. Phys."},{"key":"ref_61","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1186\/1758-2946-3-33","article-title":"Open Babel: An Open Chemical Toolbox","volume":"3","author":"Banck","year":"2011","journal-title":"J. Cheminform"},{"key":"ref_62","unstructured":"O\u2019Boyle, N.M., Banck, M., James, C.A., Morley, C., Vandermeersch, T., and Hutchison, G.R. (2025, October 15). Open Babel, Version 3.1.0. Available online: http:\/\/openbabel.org."},{"key":"ref_63","doi-asserted-by":"crossref","first-page":"2157","DOI":"10.1002\/jcc.21224","article-title":"Packmol: A Package for Building Initial Configurations for Molecular Dynamics Simulations","volume":"30","author":"Andrade","year":"2009","journal-title":"J. Comput. Chem."},{"key":"ref_64","doi-asserted-by":"crossref","first-page":"1945","DOI":"10.1515\/pac-2013-0601","article-title":"Guidelines for Checking Performance and Verifying Accuracy of Rotational Rheometers: Viscosity Measurements in Steady and Oscillatory Shear (IUPAC Technical Report)","volume":"86","author":"Laun","year":"2014","journal-title":"Pure Appl. Chem."}],"container-title":["Gels"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2310-2861\/12\/4\/299\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,4,2]],"date-time":"2026-04-02T08:24:01Z","timestamp":1775118241000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2310-2861\/12\/4\/299"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,4,1]]},"references-count":64,"journal-issue":{"issue":"4","published-online":{"date-parts":[[2026,4]]}},"alternative-id":["gels12040299"],"URL":"https:\/\/doi.org\/10.3390\/gels12040299","relation":{},"ISSN":["2310-2861"],"issn-type":[{"value":"2310-2861","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,4,1]]}}}