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Molecular Systems Design and Engineering cover

Molecular Systems Design and Engineering

IF3.2
Papers940
Citations2384
Journal Papers 934
Publication Date
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Oil Solubilization and Transport Properties of Self-assembled Linear and X-Shaped Gemini Surfactants
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-11-19
delete0
PREAI
deleteJuan de Dios de Dios Hernández Velázquez; Karina Lizeth Ramos Sayago; Armando Gama Goicochea
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Design and Evaluation of Novel Hydrazide Derivatives as NS1 Inhibitors for Dengue Virus: Synthesis; Experimental; and Computational Studies
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-11-18
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PREAI
deleteSwati Venkatesan; T. S. Prathima; Badruzzaman Choudhury; Kaushik Chanda; M. M. Balamurali
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Advancing the self-assembly of binary colloidal crystals of tetrahedra and octahedra with confinement
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-11-18
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deleteOAAI
deleteNathan C. Huang; Rachael S. Skye; Julia Dshemuchadse
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Multiscale; Techno-economic Evaluation of Isoreticular Series of CALF-20 for Biogas Upgrading using a Pressure/Vacuum Swing Adsorption (PVSA) Process
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-11-04
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PREAI
deleteChangdon Shin; Sunghyun Yoon; Yongchul G. Chung
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Machine Learning-Enabled Discovery of Ionic Liquid-Solvent Electrolytes Exhibiting High Ionic Conductivity
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-11-01
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deleteOAAI
deleteMasrur Ahmed; Jindal Shah
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Exploring the temperature stability of CRISPR-Cas12b using Molecular Dynamics Simulations
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-10-31
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deleteYinhao Jia; Katelynn Horvath; Santosh Rananaware; Piyush Jain; Janani Sampath
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Soft materials engineered synthetic polymer membranes: Bridging design and application
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-10-29
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PREAI
deleteAshok Kumar Pandey
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A first-principles examination of the ice-cellulose interface: towards bioinspired antifreeze design
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-10-28
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PREAI
deleteAakash Kumar; Dilip Gersappe
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Machine Learning Highlights Chemistry as the Key Factor in Metal-Organic Frameworks for Atmospheric Water Harvesting.
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-10-07
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PREAI
deleteNour Alkhatib; Saifeldeen Abed Alrhman; Serdal Kirmizialtin
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Control of LCST phase transition behaviour of phosphonium-based ionic liquids in water using supramolecular host–guest chemistry
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-09-30
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PREAI
deleteSaori Yamaguchi; Hiroyuki Ohno; Nobuhumi Nakamura; Takahiro Ichikawa
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Application of nucleobase-induced fluorescence enhancement in Cy3–DNA conjugates to sequence identification errors and mismatch quantification
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-09-30
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PREAI
deleteMadhura Sohoni; Nakul Panchal †; Debjani Bagchi
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Probing the structure and mechanics of intertwined homo- and hetero-supramolecular gel noodles
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-09-30
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deleteDipankar Ghosh; Rui Huang; Najet Mahmoudi; Lauren Matthews; Charlie Patterson; Chris Holland; Massimo Vassalli; Dave J. Adams
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Engineering an indoleamine 2; 3-dioxygenase immunotherapy via selective cysteine-to-serine mutations
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-09-30
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deleteOAAI
deleteJennifer Alice Simonovich; Arun Wanchoo; Ryan Alexander Clark; Junha Park; Ayumi Shigemoto; Benjamin George Keselowsky; Gregory A Hudalla
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Molecular dynamics simulation of oil–water flow behavior in single and double nanochannels
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-09-30
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PREAI
deleteChengen Zhao; Yuqi Liu; Zihao Guo; Weiming Wang; Youguo Yan; Lixia Zhou
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Computer-aided metal–organic framework screening and design approaches toward efficient carbon capture processes
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-09-30
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deleteZihao Wang; Teng Zhou
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Evaluating the density of organic compounds at variable temperatures by a norm descriptor-based QSPR model
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-08-28
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PREAI
deleteYueji Wang; Yu Gu; Qiaoyan Shang; Qingzhu Jia; Qiang Wang; Yin-Ning Zhou; Fangyou Yan
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Enhanced thermal response of 3D-printed bilayer hydrogels via nanoclay incorporation
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-08-28
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deleteFrancis Klincewicz; Subhash Kalidindi; Siyuan Liu; Kritee Sangroula; LaShanda T. J. Korley
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The potential of microcrystalline cellulose-g-poly(itaconic acid) as α-tocopherol carrier material
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-08-28
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PREAI
deleteIkhsan Ibrahim; Rachmawati Rachmawati; Mia Ledyastuti
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Designing Porous Molecularly Imprinted Polymers via Simulation of Pre-Polymerisation Mixtures: A Case Study with Trinitrotoluene
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-08-25
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deleteOAAI
deleteJasmine C Lightfoot; William Battell; Bernardo Castro Dominguez; Carmelo Herdes
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Accelerating multi-species field-theoretic simulations using Bayesian optimization
deleteMol. Syst. Des. Eng.
IF3.2
delete2025-08-09
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deleteRitvind Suketana; Andrew Golembeski; Joshua Lequieu
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