Molecular Systems Design & Engineering

RSC – Mol. Syst. Des. Eng. latest articles

• A bio-inspired approach to engineering water-responsive, mechanically-adaptive materials 2月 20, 2025
  Mol. Syst. Des. Eng., 2025, Advance ArticleDOI: 10.1039 […]
  Daseul Jang
• Reweighting configurations generated by transferable, machine learned models for protein sidechain backmapping 2月 5, 2025
  Mol. Syst. Des. Eng., 2025, Advance ArticleDOI: 10.1039 […]
  Jacob I. Monroe
• Synthesis of rod-shaped nano-hydroxyapatites using Aloe vera plant extract and their characterization 1月 16, 2025
  Mol. Syst. Des. Eng., 2025, Advance ArticleDOI: 10.1039 […]
  Md. Sahadat Hossain
• Retraction: Heteroatoms chemical tailoring of aluminum nitrite nanotubes as biosensors for 5-hydroxyindole acetic acid (a biomarker for carcinoid tumors): insights from a computational study 1月 10, 2025
  Mol. Syst. Des. Eng., 2025, 10,167-167DOI: 10.1039/D5ME […]
  Chioma B. Ubah
• Accelerating multicomponent phase-coexistence calculations with physics-informed neural networks 12月 24, 2024
  Mol. Syst. Des. Eng., 2025, 10,89-101DOI: 10.1039/D4ME0 […]
  Satyen Dhamankar
• Extrapolative machine learning models for copolymers 11月 27, 2024
  Mol. Syst. Des. Eng., 2025, 10,158-166DOI: 10.1039/D4ME […]
  Israrul H. Hashmi
• Supramolecular charge transfer adducts of rare earth 3,5-dinitrobenzoates and diaminodurene: a new approach to increasing spin density in lanthanide complexes 11月 15, 2024
  Mol. Syst. Des. Eng., 2025, 10,143-157DOI: 10.1039/D4ME […]
  Pavel S. Koroteev
• Unveiling the influence of oxidation state and heavy atom effects in chalcogen group on boron centered D(X)BNA core: a computational study on RTP versus TADF 11月 7, 2024
  Mol. Syst. Des. Eng., 2025, 10,102-114DOI: 10.1039/D4ME […]
  Ramalingam Mahaan
• DORA-XGB: an improved enzymatic reaction feasibility classifier trained using a novel synthetic data approach 11月 2, 2024
  Mol. Syst. Des. Eng., 2025, 10,129-142DOI: 10.1039/D4ME […]
  Yash Chainani
• Development of xanthan gum-based solid desiccants for the extraction of water vapors from humid air 11月 1, 2024
  Mol. Syst. Des. Eng., 2025, 10,115-128DOI: 10.1039/D4ME […]
  Hemant Mittal