Themed collection MSDE Open Access Spotlight 2026
Polymerisation mechanisms as the missing link in rational design of imprinted polymer networks
Molecular imprinting as a three-stage process highlighting polymerisation as the unresolved mechanistic link between pre-organisation and functional cavity formation.
Mol. Syst. Des. Eng., 2026,11, 488-501
https://doi.org/10.1039/D6ME00020G
Microfluidic perspectives on chimeric antigen receptor T-cell migration in solid tumours: highlighting physical confinement as a key barrier
This perspective identifies physical confinement as a primary CAR T-cell migration barrier and proposes microfluidics to study infiltration and improve therapeutic outcome.
Mol. Syst. Des. Eng., 2026, Advance Article
https://doi.org/10.1039/D5ME00232J
Gradient-based active learning for intelligent discovery of colloidal phase diagrams
Rapid and accurate prediction of the colloidal phase diagrams is necessary for controlling their structure and properties.
Mol. Syst. Des. Eng., 2026,11, 552-565
https://doi.org/10.1039/D5ME00233H
Self-assembly of phenylalanine oligopeptides: development of transferable bottom-up coarse-grained potentials
Self-assembled nanostructures comprising phenylalanine-based oligopeptides are widely utilized in various applications across the domains of electronics, personal care, and biomedicine.
Mol. Syst. Des. Eng., 2026,11, 521-540
https://doi.org/10.1039/D5ME00207A
Tuning zwitterionic polymer interactions with water and ice through side-chain engineering
Ab initio insights into how the carbon spacer length in zwitterionic polymers tunes water and ice interactions for anti-icing coating design.
Mol. Syst. Des. Eng., 2026,11, 541-551
https://doi.org/10.1039/D6ME00015K
Towards best practices in low-dimensional semi-supervised latent Bayesian optimization for the design of antimicrobial peptides
Searching through a low-dimensional projection rather than the full latent space associated with a generative model can improve performance and interpretability for biomolecular design.
Mol. Syst. Des. Eng., 2026, Advance Article
https://doi.org/10.1039/D5ME00225G
Conformational behaviour of photoresponsive single-chain polymeric nanoparticles
We developed photoresponsive single-chain polymeric nanoparticles that preserve their global conformation while allowing their local microenvironment to be modulated upon illumination.
Mol. Syst. Des. Eng., 2026, Advance Article
https://doi.org/10.1039/D6ME00057F
Using electrolyte solvent embeddings to guide battery electrolyte discovery
Faithful reduced-dimensional solvent representations guide efficient exploration of electrolyte chemical space, accelerating the identification of high-performance solvents for lithium metal batteries.
Mol. Syst. Des. Eng., 2026,11, 422-435
https://doi.org/10.1039/D5ME00188A
Effect of the graft architecture of polymer-grafted nanoparticles on tribological behavior in polymer-brushed nanochannels
We analyzed polymer-grafted nanoparticles (PGNPs) solutions confined in between polymer-brushed walls to reveal how the PGNP architectures control the self-assembled structures and the tribological properties.
Mol. Syst. Des. Eng., 2026,11, 466-476
https://doi.org/10.1039/D5ME00195A
Design of simple interactions to assemble complex crystals from binary mixtures of colloidal particles
We present a constrained inverse design strategy that uses relative-entropy minimization to discover simple, experimentally relevant pair potentials that assemble complex crystal superlattices.
Mol. Syst. Des. Eng., 2026,11, 324-335
https://doi.org/10.1039/D5ME00129C
Bioinspired nucleolipid as a low molecular weight oleogelator for oil-in-water nanoemulsions
Development of nucleolipid (NL) as a low molecular weight oleogelator (LMWO) enables stabilization of thixotropic medium chain triglyceride-based oleogels and oil-in-water nanoemulsions.
Mol. Syst. Des. Eng., 2026,11, 305-315
https://doi.org/10.1039/D5ME00074B
About this collection
Browse our 2026 Open Access articles!
All featured articles are published Gold Open Access and are free to read in MSDE.