Results 211 to 220 of about 17,712,238 (346)

Pentagonal 2D Altermagnets: Material Screening and Altermagnetic Tunneling Junction Device Application

Advanced Functional Materials, EarlyView.
From a database of 170 pentagonal 2D materials, 4 candidates exhibiting altermagnetic ordering are screened. Furthermore, the spin‐splitting and unconventional boundary states in the pentagonal 2D altermagnetic monolayer MnS2 are investigated. A MnS2‐based altermagnetic tunneling junction is designed and, through ab initio quantum transport simulations,
Jianhua Wang, Xingyue Yang, Zongmeng Yang, Jing Lu, Pin Ho, Wenhong Wang, Yee Sin Ang, Zhenxiang Cheng, Shibo Fang   +8 more
wiley   +1 more source

Clinical Serum-Anchored Computational Design Pipeline for a Broad-Spectrum Influenza Multi-Epitope mRNA Vaccine. [PDF]

Biology (Basel)
Yuan L, Ouyang Z, Zhao Y, Bi R, Wu Y, Li X, Li Y, Song J, Li W, Yan M, Wen S, Luo H, Bai T, Shu Y, Chen Y.   +14 more
europepmc   +1 more source

Stimulus-responsive self-assembly of protein-based fractals by computational design

Nature Chemistry, 2019
Nancy E. Hernández, W. A. Hansen, Denzel Zhu, Maria E. Shea, Marium Khalid, V. Manichev, Matthew Putnins, Muyuan Chen, Anthony G Dodge, Lu Yang, I. Marrero-Berrios, Melissa Banal, Phillip Rechani, T. Gustafsson, L. Feldman, Sang-Hyuk Lee, L. Wackett, Wei Dai, S. Khare   +18 more
semanticscholar   +1 more source

Printed Integrated Logic Circuits Based on Chitosan‐Gated Organic Transistors for Future Edible Systems

Advanced Functional Materials, EarlyView.
Edible electronics needs integrated logic circuits for computation and control. This work presents a potentially edible printed chitosan‐gated transistor with a design optimized for integration in circuits. Its implementation in integrated logic gates and circuits operating at low voltage (0.7 V) is demonstrated, as well as the compatibility with an ...
Giulia Coco, Valerio Francesco Annese, Valerio Galli, Ilaria Penna, Debora Russo, Marina Veronesi, Rita Scarpelli, Stefania Sabella, Mario Caironi   +8 more
wiley   +1 more source

Computational design of potent and selective binders of BAK and BAX. [PDF]

Sci Adv
Berger S, Lee EF, Harris TJ, Tran S, Bera AK, Arguinchona L, Kang A, Sankaran B, Kasapgil S, Miller MS, Smyth S, Lutfi M, Uren RT, Kluck RM, Colman PM, Fairlie WD, Czabotar PE, Baker D, Birkinshaw RW.   +18 more
europepmc   +1 more source

Modulating Two‐Photon Absorption in a Pyrene‐Based MOF Series: An In‐Depth Investigation of Structure–Property Relationships

Advanced Functional Materials, EarlyView.
This study investigates H4TBAPy‐based metal–organic frameworks (MOFs) ‐ NU‐1000, NU‐901, SrTBAPy, and BaTBAPy ‐ for multiphoton absorption (MPA) performance. It observes topology‐dependent variations in the 2PA cross‐section, with BaTBAPy exhibiting the highest activity.
Simon N. Deger, Helmy Pacheco Hernandez, Yang Cui, Hongxing Hao, Vanessa Ramm, David C. Mayer, Khai‐Nghi Truong, Roland A. Fischer, Jürgen Hauer, Mariana Kozlowska, Alexander Pöthig   +10 more
wiley   +1 more source

Accurate computational design of multipass transmembrane proteins

Science, 2018
P. Lu, Duyoung Min, F. DiMaio, K. Wei, M. Vahey, S. Boyken, Zibo Chen, J. Fallas, G. Ueda, W. Sheffler, V. Mulligan, Wenqing Xu, J. Bowie, D. Baker   +13 more
semanticscholar   +1 more source

Selective Benzene Capture by Metal‐Organic Frameworks

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) hold significant potential for capturing benzene from air emissions and hydrocarbon mixtures in liquid phases. This capability stems from their precisely engineered structures, versatile chemistries, and diverse binding interactions.
Zongsu Han, Ankit Mondal, Jiatong Huo, Yihao Yang, Hong‐Cai Zhou   +4 more
wiley   +1 more source

Computational design of constitutively active mutants of Dopamine D2 receptor inspired by ligand-independent activation mechanisms. [PDF]

BMC Biol
Chen Y, Saarinen M, Naraine A, Carlsson J, Svenningsson P, Delemotte L.   +5 more
europepmc   +1 more source

Flexibility and Dynamicity Enhances and Controls Supramolecular Self‐Assembly of Zinc(II) Metallogels

Advanced Functional Materials, EarlyView.
Zinc(II) coordination complexes with tunable aryloxy‐imine ligands exhibit controllable supramolecular self‐assembly into hierarchical fibrous structures. Coordination‐driven stacking, not π–π interactions, enables gelation, dynamic assembly/disassembly, and enhanced nanomechanical properties.
Merlin R. Stühler, Hesam Makki, Dorothee Silbernagl, Mathias Dimde, Kai Ludwig, Bengt E. Tegner, Christopher Greve, Konstantin Rausch, Eva M. Herzig, Anna Köhler, Alex J. Plajer   +10 more
wiley   +1 more source