All Research Papers Published In Molecular Systems Design & Engineering

Research Article
10.1039/d5me00136f

Integrated computational and experimental design of copper–gallic acid nanozymes for selective salbutamol detection

Jan 01, 2026
Molecular Systems Design & Engineering
Fatemeh Parad + 6 more +6

Preparation of copper–gallic acid nanozymes for selective salbutamol detection.

Research Article
10.1039/d5me00195a

Effect of the graft architecture of polymer-grafted nanoparticles on tribological behavior in polymer-brushed nanochannels

Jan 01, 2026
Molecular Systems Design & Engineering
Taiga Morioka + 3 more +3

Although polymer brushes reduce friction by suppressing solid contact, performance degradation can occur under high shear and load. To address this, polymer-grafted nanoparticles (PGNPs) have been proposed as nanoscale spacers...

Research Article
10.1039/d6me00014b

Harnessing copovidone properties by hot melt extrusion with colloidal silicon dioxide for a novel co-processed pharmaceutical excipient development

Jan 01, 2026
Molecular Systems Design & Engineering
Himanshu Vishwakarma + 4 more +4

Vinylpyrrolidone-vinyl acetate copolymer (copovidone) is commonly used in oral solid dosage systems for its solubilizing and binding properties but suffers from native hygroscopicity and high mechanical fiber strength of its...

Research Article
10.1039/d5me00173k

Integrating Equivariant Architectures and Charge Supervision for Data-Efficient Molecular Property Prediction

Jan 01, 2026
Molecular Systems Design & Engineering
Zixiao Yang + 2 more +2

Understanding and predicting molecular properties remains a central challenge in scientific machine learning, especially when training data are limited or task-specific supervision is scarce. We introduce the Molecular Equivariant Transformer...

Research Article
7
10.1039/d4me00118d

DORA-XGB: an improved enzymatic reaction feasibility classifier trained using a novel synthetic data approach

Jan 01, 2025
Molecular Systems Design & Engineering
Yash Chainani + 4 more +4

We outline a method for synthetically generating negative data by considering alternative reaction centers on small-molecule substrates that are known to participate in enzymatic reactions.

Front Matter
10.1039/d5me90009c

Contents list

Jan 01, 2025
Molecular Systems Design & Engineering

Research Article
1
10.1039/d5me00029g

Laterally shifted dipole effect on the three-dimensional microstructures of Janus magnetic colloidal suspensions

Jan 01, 2025
Molecular Systems Design & Engineering
Jose F Menacho-Abanto + 2 more +2

Janus magnetic particles immersed in a three-dimensional Newtonian fluid form distinct structures as a function of dipolar shift, exhibiting self-assembly behaviors for materials design and advanced applications.

Front Matter
10.1039/d5me90020d

Back cover

Jan 01, 2025
Molecular Systems Design & Engineering

Front Matter
10.1039/d5me90008e

Front cover

Jan 01, 2025
Molecular Systems Design & Engineering

Front Matter
10.1039/d5me90012c

Contents list

Jan 01, 2025
Molecular Systems Design & Engineering