Results 151 to 160 of about 633,406 (289)

Molecular Dynamics Simulations of Methane-Ammonia Ices Irradiated by Protons. [PDF]

ACS Earth Space Chem
Ricca A, Haskins JB.
europepmc   +1 more source

Heteroatom‐Engineering Promoted Co9S8 Bi‐functional Electrocatalyst for Hydrazine‐Assisted Hydrogen Production at Industrial Current Density

Advanced Functional Materials, EarlyView.
Fe and P co‐doped Co9S8 nanocorals (Fe, P‐Co9S8) are successfully synthesized by a heteroatom engineering strategy, which exhibit outstanding bifunctional electrocatalytic performance for both the hydrogen evolution reaction (HER) and hydrazine oxidation reaction (HzOR).
Yuying Meng, Chunyan Xiang, Wenbiao Zhang, Dahai Zeng, Bing Du, Bao Zhong, Yue Jiang, Damien Voiry, Qingsheng Gao   +8 more
wiley   +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

Three‐Dimensional Hierarchical Nanowire‐Networks with Deep‐Focus Tolerance and Adhesion Robustness for Harsh‐Environment SERS Sensing

Advanced Functional Materials, EarlyView.
A 3D nanowire‐network SERS substrate with robust adhesion is developed, featuring pronounced z‐direction optical activity, ultralow detection limit (1.5 × 10−13 M), and excellent signal uniformity (RSD < 10%). Enabled by enhanced light scattering, increased optical density of states, and structural reinforcement, the substrate demonstrates stable, high‐
Jinglai Duan, Wentao Wang, Xiu Liang, Yongliang Zhang, Jie Liu, Yu Bai, Dangyuan Lei   +6 more
wiley   +1 more source

Benchmarking the Ligand-HER2 Interactions Using Machine Learning and Molecular Dynamics Simulations. [PDF]

ACS Omega
Truong DT, Dao QT, Tran TTM, Nguyen NH, Nguyen-Thao MK, Nam NH, Do TMD, Nguyen MT.   +7 more
europepmc   +1 more source

Injectable Dual‐Network Hydrogel System for Osteochondral Repair Combining Immunomodulation, Mechanical Adaptability, and Enhanced Tissue Integration

Advanced Functional Materials, EarlyView.
A UV‐triggered injectable dual‐network hydrogel is reported as the first application of bletilla striata polysaccharide (BSP) in osteochondral repair. By integrating methacrylamide‐modified BSP and nitrobenzaldehyde‐functionalized hyaluronic acid, the system achieves immunomodulation, mechanical reinforcement, and dynamic tissue adhesion, thereby ...
Jiaming Cui, Feifei Zhou, Yuan Luo, Tao Ouyang, Huiwu Zhang, Songmiao Cheng, Qiang Li, Xu Jiang, Yingying Yu, Yicheng Wang, Hong Ming   +10 more
wiley   +1 more source

Editorial: Molecular Dynamics Simulations of Metalloproteins and Metalloenzymes

Frontiers in Chemistry, 2021
Kshatresh Dutta Dubey, Binju Wang, Yubing Si, Syed Tarique Moin   +3 more
doaj   +1 more source

The Application of Metal-Organic Frameworks as Drug Delivery Systems: From the Perspective of Molecular Dynamics Simulations. [PDF]

MedComm (2020)
Xu J, Zheng H, Gao Y, Lai Y, Peng M, Hu Y, Yuan T, Liu X, Zhou S, Duan W, Shen JW, Zheng Y.   +11 more
europepmc   +1 more source

Molecular Dynamics Simulation [PDF]

, 2006
openaire   +2 more sources

Covalent Organic Frameworks for Photocatalytic CO2 Reduction: Metal Integration Principles, Strategies and Functions

Advanced Functional Materials, EarlyView.
Covalent organic frameworks (COFs) with metals have been recognized as versatile platforms for photocatalytic CO2 reduction (CO2PRR). Herein, an overview of metal integration strategies for COFs is systematically summarized. Regulatory mechanisms and structure–activity relationships between metal integration and COF‐based CO2PRR are emphasized.
Jie He, Minxian Zhang, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +5 more
wiley   +1 more source