Results 181 to 190 of about 621,380 (345)

Binding of Soluble Ligands to Membrane Receptors: A Molecular Dynamics Simulation Study. [PDF]

J Phys Chem B
Hou R, Gao J, Chen J, Wang R, Różycki B, Hu J.   +5 more
europepmc   +1 more source

Molecular Dynamics Simulation of Molten Silicon.

, 1994
Koichi Kakimoto
openalex   +2 more sources

Biomimetic Nanomedicines Deliver Naringin for Enhanced Acute Liver Failure Therapy via Balanced Regulation of Hepatocyte Oxidative Stress and Kupffer Cell Inflammation

Advanced Functional Materials, EarlyView.
A biomimetic nanomedicine (RBLN) constructed by loading natural antioxidants to clinically used layered double hydroxide nanoparticles is surface coated with fresh or senescent red blood cell membrane for balanced drug delivery to hepatocytes and KCs, thereby simultaneously alleviating liver oxidant stress and inflammation for effective drug‐induced ...
Jiahui Shao, Maoze Wang, Jinling Huang, Yu Wang, Jing Zhao, Ran Wang, Zhi Ping Xu, Jianping Jiang, Lingxiao Zhang   +8 more
wiley   +1 more source

PolyPal: A Python Package for Molecular Dynamics Simulation of Amorphous Polymers. [PDF]

J Chem Theory Comput
Warndorf MC, Swager TM, Alexander-Katz A.   +2 more
europepmc   +1 more source

Molecular Dynamics Simulation of Grain-Boundary Sliding and Migration Induced by Thermal Activation in Aluminum.

, 1993
Tomio Iwasaki, Naoya SASAKI, Norimasa Chiba, Yasuo Abe   +3 more
openalex   +2 more sources

Fluctuation and Cross-correlation Analysis of Protein Motions Observed in Nanosecond Molecular Dynamics Simulations [PDF]

, 1995
Philippe H. Hünenberger, Alan E. Mark, Wilfred F. van Gunsteren   +2 more
openalex   +1 more source

Atomic Size Misfit for Electrocatalytic Small Molecule Activation

Advanced Functional Materials, EarlyView.
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source

Molecular Dynamics Simulation of Cross-linked Epoxy Resins: Past and Future. [PDF]

Macromol Rapid Commun
Yamamoto S, Tanaka K.
europepmc   +1 more source

Copper‐based Materials for Photo and Electrocatalytic Process: Advancing Renewable Energy and Environmental Applications

Advanced Functional Materials, EarlyView.
Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida, Yanjie Wang, Thais A. Rodrigues, Paulo H. H. Nunes, Vagner R. de Mendonça, Paulo H. E. Falsetti, Leticia V. Savazi, Tao He, Alexandra V. Bardakova, Aida V. Rudakova, Jie Tian, Alexei V. Emeline, Osmando F. Lopes, Antonio Otavio T. Patrocínio, Jia Hong Pan, Caue Ribeiro, Detlef W. Bahnemann   +16 more
wiley   +1 more source

Molecular Dynamics Simulation of Hydrogen Permeation Behavior in Epoxy Resin Systems. [PDF]

Polymers (Basel)
Gao C, Chen H, Xu H, Wu Z, Dong X.
europepmc   +1 more source