🌐 Website: rsc.li/msde-journal Published by @rsc.org
MD simulations to understand the mechanism behind the enhanced thermostability of BrCas12b variant🧪
Read this insightful #OpenAccess article by Janani Sampath et al, 'Exploring the temperature stability of CRISPR-Cas12b using molecular dynamics simulations' doi.org/10.1039/D5ME...
MD simulations to understand the mechanism behind the enhanced thermostability of BrCas12b variant🧪
Read this insightful #OpenAccess article by Janani Sampath et al, 'Exploring the temperature stability of CRISPR-Cas12b using molecular dynamics simulations' doi.org/10.1039/D5ME...
As we gear up for MSDE's last issue of 2025, let's revisit this #OpenAccess article from Issue 1 by Flavia Aleotti, et al, 'Is DFT enough? Towards accurate high-throughput computational screening of azobenzenes for molecular solar thermal applications'👉 doi.org/10.1039/D4ME...
As we gear up for MSDE's last issue of 2025, let's revisit this #OpenAccess article from Issue 1 by Flavia Aleotti, et al, 'Is DFT enough? Towards accurate high-throughput computational screening of azobenzenes for molecular solar thermal applications'👉 doi.org/10.1039/D4ME...
Check out this cover article by Rui Zhang et al, 'Design of shape morphing of liquid crystal elastomers through pre-shaping methods'
Read the full article here👉 doi.org/10.1039/D5ME...
Check out this cover article by Rui Zhang et al, 'Design of shape morphing of liquid crystal elastomers through pre-shaping methods'
Read the full article here👉 doi.org/10.1039/D5ME...
This MSDE article shows how nanotechnology-enhanced soft materials must be assessed end-to-end: production → use → disposal #molecularengineering
Green synthesis + design for circularity = a big difference
Great work by Imalka Munaweera et al. 👉 doi.org/10.1039/D5ME...
This MSDE article shows how nanotechnology-enhanced soft materials must be assessed end-to-end: production → use → disposal #molecularengineering
Green synthesis + design for circularity = a big difference
Great work by Imalka Munaweera et al. 👉 doi.org/10.1039/D5ME...
Congratulations to Julien Alary for winning best presentation and Viveka Sivakaran for winning best poster!
#MSDE #MolecularEngineering
Congratulations to Julien Alary for winning best presentation and Viveka Sivakaran for winning best poster!
#MSDE #MolecularEngineering
Read the #OpenAccess paper here 👇
pubs.rsc.org/en/content/a...
Read the #OpenAccess paper here 👇
pubs.rsc.org/en/content/a...
Join leading experts to discuss best practice tips for working across disciplines.
Register now: https://rsc.li/4m2xzOU
#ChemSky
Join leading experts to discuss best practice tips for working across disciplines.
Register now: https://rsc.li/4m2xzOU
#ChemSky
Featured on the back cover of issue 9 of MSDE
pubs.rsc.org/en/content/a...
Featured on the back cover of issue 9 of MSDE
pubs.rsc.org/en/content/a...
"Discovery of metal–organic frameworks for inverse CO2/C2H2 separation by synergizing molecular simulation and machine learning" by Daohui Zhao, Mao Wang, Zhiming Zhang and Jianwen Jiang
Read the full paper here pubs.rsc.org/en/content/a...
"Discovery of metal–organic frameworks for inverse CO2/C2H2 separation by synergizing molecular simulation and machine learning" by Daohui Zhao, Mao Wang, Zhiming Zhang and Jianwen Jiang
Read the full paper here pubs.rsc.org/en/content/a...
Featured #OnTheCover of issue 9
doi.org/10.1039/D5ME...
Featured #OnTheCover of issue 9
doi.org/10.1039/D5ME...
You can read the Editorial here: pubs.rsc.org/en/content/a...
Thank you to all of our reviewers for helping to preserve quality and integrity in our literature.
🧪 #MolecularSystemsEngineering
You can read the Editorial here: pubs.rsc.org/en/content/a...
Thank you to all of our reviewers for helping to preserve quality and integrity in our literature.
🧪 #MolecularSystemsEngineering
Combines DFT + PC-SAFT to evaluate adsorbents in process context, not just by properties.
Tested on a cement plant case—shows how modelling + optimisation can guide smarter material choices.
🔗 doi.org/10.1039/D4ME...
Combines DFT + PC-SAFT to evaluate adsorbents in process context, not just by properties.
Tested on a cement plant case—shows how modelling + optimisation can guide smarter material choices.
🔗 doi.org/10.1039/D4ME...
This new bio-based composite jumps from 70 to 400 MPa with moisture.
"A bio-inspired approach to engineering water-responsive, mechanically-adaptive materials" by LaShanda Korley & co.
🔗 doi.org/10.1039/D4ME...
This new bio-based composite jumps from 70 to 400 MPa with moisture.
"A bio-inspired approach to engineering water-responsive, mechanically-adaptive materials" by LaShanda Korley & co.
🔗 doi.org/10.1039/D4ME...
DynaMate is a modular AI framework that automates molecular research workflows—from setup to analysis. Built in Python, it’s flexible, customizable, and designed to save scientists time.
📖 pubs.rsc.org/en/content/a...
DynaMate is a modular AI framework that automates molecular research workflows—from setup to analysis. Built in Python, it’s flexible, customizable, and designed to save scientists time.
📖 pubs.rsc.org/en/content/a...
PepMNet predicts peptide properties from atomic structures—no human-crafted features needed. Great for non-natural peptides and complex mods. A big win for drug discovery.
📖 pubs.rsc.org/en/content/a...
PepMNet predicts peptide properties from atomic structures—no human-crafted features needed. Great for non-natural peptides and complex mods. A big win for drug discovery.
📖 pubs.rsc.org/en/content/a...
How do flexible linkers affect gas adsorption?
This recent paper uses molecular simulations to uncover stable adsorption states in SPCPs—key for gas storage and separation.
🔗 doi.org/10.1039/D4ME...
#MSDE #PorousMaterials #GasStorage
How do flexible linkers affect gas adsorption?
This recent paper uses molecular simulations to uncover stable adsorption states in SPCPs—key for gas storage and separation.
🔗 doi.org/10.1039/D4ME...
#MSDE #PorousMaterials #GasStorage
Self-assembling smectic phases + lithium salts = 2D ion highways ⚡️
A recent study designs nanostructured electrolytes using carbonate-based liquid crystals - promising for quasi-solid-state batteries.
🔗 doi.org/10.1039/D4ME...
#MSDE #Electrolytes #MaterialsDesign
Self-assembling smectic phases + lithium salts = 2D ion highways ⚡️
A recent study designs nanostructured electrolytes using carbonate-based liquid crystals - promising for quasi-solid-state batteries.
🔗 doi.org/10.1039/D4ME...
#MSDE #Electrolytes #MaterialsDesign
Abduldayeva et al. use immunoinformatics to model a stable, immunogenic construct against meningitis-causing strains.
🔗 doi.org/10.1039/D5ME...
#VaccineDesign #ComputationalBiology
Abduldayeva et al. use immunoinformatics to model a stable, immunogenic construct against meningitis-causing strains.
🔗 doi.org/10.1039/D5ME...
#VaccineDesign #ComputationalBiology
Park & Van Lehn use simulations to reveal how marginal hydrophobicity and charged residues guide membrane translocation - paving the way for smarter peptide design.
🔗 doi.org/10.1039/D5ME...
#MembraneBiophysics #SyntheticBiology
Park & Van Lehn use simulations to reveal how marginal hydrophobicity and charged residues guide membrane translocation - paving the way for smarter peptide design.
🔗 doi.org/10.1039/D5ME...
#MembraneBiophysics #SyntheticBiology
Find the full collection here 👉 pubs.rsc.org/en/journals/...
Find the full collection here 👉 pubs.rsc.org/en/journals/...
"Vasoactive intestinal peptide amphiphile micelle material properties influence their cell association and internalization" by Xiaofei Wang, Bret D. Ulery, & co!
Read the #OpenAccess paper here 👉 pubs.rsc.org/en/content/a...
"Vasoactive intestinal peptide amphiphile micelle material properties influence their cell association and internalization" by Xiaofei Wang, Bret D. Ulery, & co!
Read the #OpenAccess paper here 👉 pubs.rsc.org/en/content/a...
All articles are published Gold Open Access and are completely free to read
pubs.rsc.org/en/journals/...
All articles are published Gold Open Access and are completely free to read
pubs.rsc.org/en/journals/...
"Elucidating the role of charge transfer on semiconductor properties in a new donor–acceptor cocrystal 1,5-dihydroxynaphthalene : TCNQ" by Arkalekha Mandal, Chris Erik Mohn, Carl Henrik Görbitz, Melania Rogowska and Ola Nilsen
pubs.rsc.org/en/content/a...
"Elucidating the role of charge transfer on semiconductor properties in a new donor–acceptor cocrystal 1,5-dihydroxynaphthalene : TCNQ" by Arkalekha Mandal, Chris Erik Mohn, Carl Henrik Görbitz, Melania Rogowska and Ola Nilsen
pubs.rsc.org/en/content/a...