Results 191 to 200 of about 621,380 (345)

Molecular dynamics simulations of an enzyme surrounded by vacuum, water, or a hydrophobic solvent

, 1994
Martin Norin, Fredrik Hæffner, Karl Hult, Olle Edholm   +3 more
openalex   +1 more source

Versatile Green Transfer of Magnetoelectronics with Loss‐Free Performance and High Adhesion for Interactive Electronics

Advanced Functional Materials, EarlyView.
An environmentally friendly transfer printing method of nm‐thick giant magnetoresistive (GMR) sensors is demonstrated. This method, relying on water and biocompatible polyvinyl alcohol (PVA) polymer without the need of complex treatments, allows transferring thin films to a wide range of biological, organic, and inorganic substrates.
Olha Bezsmertna, Rui Xu, Eduardo Sergio Oliveros Mata, Stanislav Avdoshenko, Clemens Voigt, Sindy Mosch, Mykola Vinnichenko, Denys Makarov   +7 more
wiley   +1 more source

Homology Modeling and Molecular Dynamics Simulation Studies of a Marine Alkaline Protease

Bioinformatics and Biology Insights, 2012
Xiaofeng Ji, Wei Wang, Yuan Zheng, Jianhua Hao, Mi Sun   +4 more
doaj  

Feasibility of Combining Biomolecular Conformational Sampling Techniques for Molecular Dynamics Simulation. [PDF]

J Comput Chem
Ikebe J, Kono H.
europepmc   +1 more source

A molecular dynamics simulation of the fullerene formation process [PDF]

, 1998
Yasutaka Yamaguchi, Shigeo Maruyama
openalex   +1 more source

MnI‐Functionalized Covalent Organic Framework as Efficient Electrocatalyst for CO2 Reduction in a Catholyte‐Free Zero‐Gap Electrolyzer

Advanced Functional Materials, EarlyView.
This work demonstrates the successful integration of a phenanthroline‐based 2D COF with MnI catalytic sites into a catholyte‐free membrane‐electrode‐assembly cell for CO2 electroreduction. The crystalline COF actively suppresses Mn⁰–Mn⁰ dimerization, achieving a turnover frequency of 617 h⁻¹ at 2.8 V (full‐cell potential), and enabling stable operation.
Laura Spies, Marcos Eduardo G. Carmo, Gonçalves J. Marrenjo, Stephan Reuther, Patrick Ganswindt, Antonio Otavio T. Patrocinio, Thomas Bein, Osmando F. Lopes, Jenny Schneider   +8 more
wiley   +1 more source

Understanding PET Hydrolysis via Reactive Molecular Dynamics Simulation and Experimental Investigation. [PDF]

J Phys Chem B
Ma SM, Pereira P, Pester CW, Savage PE, Bakshi BR, Lin LC.   +5 more
europepmc   +1 more source

Molecular dynamics simulation by atomic mass weighting

, 1990
Boryeu Mao, Alan R. Friedman
openalex   +1 more source

Evolving Platinum‐Copper Nanostructures for Enhanced Photothermal Therapy and Controlled Copper Release in Cancer Therapy

Advanced Functional Materials, EarlyView.
Platinum‐Copper bimetallic nanoparticles may evolve depending on their synthesis under tumor microenvironment conditions and play a dual role as chemotherapeutic agents after releasing Cu ions and as near infrared photothermal agents with the Pt‐rich remaining frames.
Jose I. Garcia‐Peiro, María Sancho‐Albero, Silvia Miguel, Andrea Mosseri, Felipe Hornos, Rafael Contreras‐Montoya, Jose L. Hueso, Jesus Santamaria   +7 more
wiley   +1 more source

Molecular Dynamics Simulation of the Thermosensitive Gelation Mechanism of Phosphorylcholine Groups-Conjugated Methylcellulose Hydrogel. [PDF]

Gels
Mei H, Huang Y, Yi J, Chen W, Guan P, Guan S, Chen X, Li W, Yang L.   +8 more
europepmc   +1 more source