Results 241 to 250 of about 7,568,994 (301)

Revealing the Nanoindentation-Induced Plastic Deformation Mechanisms of 4H-SiC: Combined Insights from Molecular Dynamics Simulations and Experiments. [PDF]

Materials (Basel)
Lin W, Li H, Hu Z, Peng F, Zhou Z, Yu Y, Wu Y, Xu X.   +7 more
europepmc   +1 more source

Protein‐Nanoarchitectures for Low‐Field Intracellular Electro‐Immunomodulation

Advanced Functional Materials, EarlyView.
DHQ‐SDH‐mediated binding of AuNPs drives the formation of interconnected, chain‐like nanoarchitectures with enhanced electrical conductivity. These conductive assemblies undergo macrophage uptake and enable low‐field electrical stimulation, promoting M1‐to‐M2 phenotypic switching with decreased iNOS and increased CD206 expression. Such protein‐mediated
Viktoriya Pakharenko, Djanira Rodrigues Negrão, Tanmay Gupta, Robert Jeng, Otavio Augusto Titton Dias, Maia Jaffer‐Diaz, Dinesh Christendat, Mohini Sain   +7 more
wiley   +1 more source

Integrated Metabolomics, Network Pharmacology, and Molecular Dynamics Simulations Reveal the Potential Anti-Melanoma Mechanisms of <i>Inonotus hispidus</i>. [PDF]

Curr Issues Mol Biol
Liu H, Liu J, Ma Z, Li H, Liu X, Zhu D.
europepmc   +1 more source

Charge‐Polarized Ni─S4 Single‐Atom Sites Drive Selective Photoreforming of Poly(lactic acid) to Lactate and Hydrogen

Advanced Functional Materials, EarlyView.
Atomically dispersed Ni–S4 sites on CdS nanorods induce interfacial charge polarization, directing photogenerated electrons to H2 evolution and holes to selective ester‐bond cleavage of poly(lactic acid). Without sacrificial reagents, this charge‐coupled system produces lactate while suppressing overoxidation, achieving an H2 evolution rate of 41.74 ...
Yu Yao, Panpan Zhang, Jinqiang Zhang, Xi‐lin Wu, Tara Pukala, Yifei Wang, Bernt Johannessen, Shaobin Wang, Xiaoguang Duan   +8 more
wiley   +1 more source

Dynamics and microstructures in aqueous solutions of polyacrylamide and acrylamide monomers assessed by molecular dynamics simulations combined with optical Kerr effect spectroscopy. [PDF]

RSC Adv
Wang L, Wang H, Sha M.
europepmc   +1 more source

Parametrization of β³-Peptides for Coarse-Grained Molecular Dynamics Simulations. [PDF]

J Chem Inf Model
Pavela O, Wacha A, Beke-Somfai T, Sieradzan AK.   +3 more
europepmc   +1 more source

Molecular-Level Insights Into Alkali-Metal-Cation-CO₂ Interactions at Electrified Cu(100) Interfaces by Molecular Dynamics Simulations. [PDF]

ChemSusChem
Inoue A, Kamiya K.
europepmc   +1 more source

Exploring Trop-2-Nanobody PPI Interactions through Molecular Dynamics Simulations and Biovalidations. [PDF]

ACS Omega
Cheng J, Sun ZY, Guo Z, Hao Y, Hou G, Li Y, Wang Y, Feng Z, Xue Y, Meng L.   +9 more
europepmc   +1 more source

Applying molecular dynamics simulations to validate OCT1 substrates uncovers vitamin K1 as a high-affinity ligand. [PDF]

Front Pharmacol
Mahgoub EO, Ali R, Samara A, Ramotar D.
europepmc   +1 more source