Results 141 to 150 of about 167,696 (254)

Identification of bioactive phytoconstituents as promising ABL2 inhibitors using virtual screening and molecular dynamics simulation. [PDF]

Sci Rep
Elayyan AEM, Elasbali AM, Alanazi MAM, Shamsi A, Mohammad T.   +4 more
europepmc   +1 more source

Gram‐Scale Production of Iron Oxide Rubik‐Cube Nanoparticles: New Tools for the Clinical Translation of Magnetic Hyperthermia and Magnetic Particle Imaging

Advanced Functional Materials, EarlyView.
This work reports the first gram‐scale solvothermal synthesis of ‘Rubik's cube’ nanoparticles—cubic, dendritic multicore structures with tuneable sizes and exceptional magnetic heating performance. Featuring iron oxide single‐domain character, with low coercivity fields, high magnetization, and strong MPI signals, they enable viscosity‐independent ...
Giusy M. R. Rizzo, Niccolò Silvestri, Nabila Jarmouni, Helena Gavilán, Hamza Yakubu, Daniel Arenas‐Esteban, Sara Bals, Paola Parlanti, Mauro Gemmi, Ross Clark Prado, Anna Cristina S. Samia, Verónica Salgueiriño, Teresa Pellegrino   +12 more
wiley   +1 more source

Creep Behavior and Its Influencing Factors in High-Entropy Superalloys: A Molecular Dynamics Simulation Study. [PDF]

Materials (Basel)
Han K, Wang Q, Zhu Y, Yuan S, Wang C, Liang S, Zhao L.   +6 more
europepmc   +1 more source

Biobased Bionic Spider Silk via Electrostatic Complexation for Simultaneously Harvesting Atmospheric Water and Triboelectric Energy

Advanced Functional Materials, EarlyView.
Bio‐based bionic spider silk and spider web are first prepared using polyelectrolyte complexation technique for the simultaneous harvesting of water and triboelectric energy. The advantage of this process lies on entirely bio‐based materials, fully green water‐processable procedures, extremely high production rate (99.36%), excellent fog harvesting ...
Qin Chen, Araz Rajabi‐Abhari, Tongtong Fu, Haonan Zhang, Siqi Huan, Liang Chen, Jinchao Li, Cheng Hao, Yaping Zhang, Ning Yan   +9 more
wiley   +1 more source

Effect of Fe/Ni Microalloying on Interface Regulation of SiC/Al Composites: Molecular Dynamics Simulation and Experiments. [PDF]

Materials (Basel)
Song T, Du X, Xia T, Liu Y, Zhu J, Zhang X.   +5 more
europepmc   +1 more source

Liquid Crystalline Inverted Lipid Phases and Reverse Micelles in Drug Delivery: From Molecular Design to Therapeutic Potential

Advanced Functional Materials, EarlyView.
Liquid crystalline inverted lipid phases and reverse micelles are self‐assembled lipid nanostructures that enhance the solubility, stability, and delivery of diverse therapeutics. This review integrates their physicochemical principles, formulation strategies, drug loading mechanisms, and biomedical applications, highlighting their growing ...
Numan Eczacioglu, Mulazim Hussain Asim, Soheil Haddadzadegan, Andreas Bernkop‐Schnürch   +3 more
wiley   +1 more source

Primary Radiation Damage in a Strain-Engineering-Based SiGe/Si Heterostructure: A Molecular Dynamics Simulation. [PDF]

Nanomaterials (Basel)
Xing T, Liu S, Wang Q, Wang C, Wang Y, Adekoya MA, Wang X, Li X, Sheng H, Cai L, Tan J, Yi Y, Li Z.   +12 more
europepmc   +1 more source

Role of Histidine‐Containing Peptoids in Accelerating the Kinetics of Calcite Growth

Advanced Functional Materials, EarlyView.
Amphiphilic histidine‐containing peptoids mimic carbonic anhydrase (CA) to accelerate calcite step growth. In the presence of Zn2+, they promote the deprotonation of HCO3−, the desolvation of Ca2+, and the reorganization of interfacial hydration layers, thereby reducing the activation barrier for calcite growth.
Mingyi Zhang, Ying Chen, Chenyang Shi, Progyateg Chakma, James J. De Yoreo, Chun‐Long Chen   +5 more
wiley   +1 more source

Molecular Dynamics Simulation [PDF]

, 2008
openaire   +2 more sources

Comparing cryo-EM methods and molecular dynamics simulation to investigate heterogeneity in ligand-bound TRPV1. [PDF]

Nat Commun
Astore MA, Silva-Sánchez D, Blackwell R, Cossio P, Hanson SM.   +4 more
europepmc   +1 more source