Results 161 to 170 of about 8,716,920 (283)

Protein Model Quality Estimation Using Molecular Dynamics Simulation

ACS Omega, 2022
Jason Kurniawan, Takashi Ishida
doaj   +1 more source

Molecular dynamics simulation in traditional Chinese medicine research: from molecular mechanisms to multiscale validation. [PDF]

Front Chem
Zhou X, Du H, Yang H, Hu Y, Wang C, Zhang M, Ding X, Wang P.   +7 more
europepmc   +1 more source

Multifunctional Neutrophil Nanovesicles Induce Remodeling of Tumor Immune Microenvironment and Synergistic Multimodal Tumor Therapy

Advanced Functional Materials, EarlyView.
Schematic illustration of the engineered RN@FDT for multimodal tumor therapy. a) Fabrication of FD&DOX/TFA‐loaded RGD‐NNV (RN@FDT) and the light‐triggered disassemble of RN@FDT. b) After internalized by tumor cells, RN@FDT are disintegrated under NIR‐II laser irradiation to boost PTT and induce cell apoptosis.
Jiahui Zhang, Cheng Ji, Xin‐Jian Fang, Yu Qian, Jiayuan Shi, Wenhui Liu, Baiyuan Fan, Yuan Zhong, Jiayi Wang, Dan Yu, Maoye Wang, Min Fu, Xiaoxin Zhang, Runbi Ji, Hélder A. Santos, Hongbo Zhang, Xu Zhang   +16 more
wiley   +1 more source

In silico drug discovery and molecular dynamics simulation for targeting neonatal pneumonia and bronchopulmonary dysplasia. [PDF]

Front Chem
Chen X, Liu Q, Zhang B.
europepmc   +1 more source

Disorder‐Broadened Topological Hall Phase and Anomalous Hall Scaling in FeGe

Advanced Functional Materials, EarlyView.
By systematically introducing defects into FeGe via ion‐beam modification, we demonstrate that disorder broadens the temperature regime over which the topological Hall effect ‐ a signature of skyrmions or other chiral textures — appears, while also increasing its magnitude.
Chaman Gupta, Chris Matsumura, Hongbin Yang, Sarah Edwards, Rebeca M. Gurrola, Jiun‐Haw Chu, Hanjong Paik, Yongqiang Wang, David A. Muller, Robert Streubel, Tzu‐Ming Lu, Serena Eley   +11 more
wiley   +1 more source

Gradient‐Conductivity Architecture Enables Synchronous Enhancement of Sensitivity and Detection Range in Multifunctional All‐Paper Sensors

Advanced Functional Materials, EarlyView.
A gradient‐engineered all‐paper sensor is fabricated by integrating MXene and in situ grown AgNPs within hierarchical cellulose networks. The device breaks the sensitivity–detection range trade‐off through cascaded conductive pathways, enabling ultrahigh pressure sensitivity, humidity–pressure decoupled dual‐mode sensing, and outstanding EMI shielding,
Ao Li, Jun Xu, Dezhong Xu, Zhaohui Zhang, Jiyi Li, Daxian Cao, Kefu Chen, Mizi Fan   +7 more
wiley   +1 more source

Integration of network pharmacology, molecular docking, and molecular dynamics simulation to elucidate the mechanism of Psychotria rubra in depression treatment. [PDF]

Saudi Pharm J
Yin L, Lu C, Ye J, Zhang Y, Mo S, Wang H.   +5 more
europepmc   +1 more source

Mechanical Programming of PEGDA‐β‐CD Polyrotaxane‐Based Hydrogels via Host–Guest Molecular Recognition

Advanced Functional Materials, EarlyView.
A mechanically programmable hydrogel for tissue engineering is developed by modulating the molecular threading density of poly(ethylene glycol) diacrylate‐β‐cyclodextrin (PEGDA‐β‐CD) polyrotaxane and combining it with β‐CD‐modified gelatin. The polyrotaxane‐guided transition from disordered pores to laminar microstructures enables precise tuning ...
Shiyi Chen, Xudan Xing, Haopu Su, Dominik Voll, Xiaohe Xu, Jiafeng Wan, Tongtong Cui, Christian W. Schmitt, Stefan Bräse, Peng Li, Patrick Théato   +10 more
wiley   +1 more source

MDCompress: better, faster compression of molecular dynamics simulation trajectories. [PDF]

Bioinformatics
Kokot M, Roy A, Wheeler TJ, Deorowicz S.
europepmc   +1 more source

Emerging Post‐CMOS Hardware Neurons for Brain‐Inspired Computing: Devices, Circuits, and System Integration

Advanced Functional Materials, EarlyView.
The physical realization of artificial neurons is a critical challenge for energy‐efficient neuromorphic computing. This review presents a comprehensive analysis of the evolution of artificial neuron implementations from conventional CMOS to emerging post‐CMOS technologies.
Kannan Udaya Mohanan, Hocheon Yoo, Benoît H. Lessard, Ioannis Kymissis, Chang‐Hyun Kim   +4 more
wiley   +1 more source