Results 211 to 220 of about 1,994,057 (402)

mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data. [PDF]

PLoS Comput Biol
Pérez-Hernández G, Hildebrand PW.
europepmc   +1 more source

Multi‐Pathway Upconversion Emission in Symmetry‐Broken Nanocavities: Broadband Multiresonant Enhancement and Anti‐Correlated Interfacial Sensitivity

Advanced Functional Materials, EarlyView.
Symmetry‐broken plasmonic nanoantenna arrays achieve broadband multiresonant enhancement of second harmonic generation (SHG), third harmonic generation (THG), and upconversion photoluminescence (UCPL), under femtosecond laser excitation across the near‐infrared range (1000–1600 nm).
Elieser Mejia, Yuming Zhao, Meitong Nie, Benjamin Pittelkau, Aditya Garg, Junyeob Song, Wenqi Zhu, Henri Lezec, Amit Agrawal, Wei Zhou   +9 more
wiley   +1 more source

A Network Pharmacology and Molecular Dynamics Simulation-Based Study of Qing Run Hua Jie Decoction in Interstitial Pneumonia Treatment

Infection and Drug Resistance
Chunxiang Li,1,* Yingbin Lian,1,* Yaoshen Lin,1 Zhihua Li2 1Department of Integrative Medicine Oncology, The Second Affiliated Hospital of Fujian Medical University, Quanzhou, Fujian, 362000, People’s Republic of China; 2Department of Oncology ...
Li C, Lian Y, Lin Y, Li Z
doaj  

Hydrophobic Deep Eutectic Solvent (DES) Design Enables Optimally Hydrated DES‐in‐Water Electrolytes for High‐Performance Bromine Redox‐Enhanced Energy Storage Systems

Advanced Functional Materials, EarlyView.
Faradaic charging with bromine redox chemistry shows promise for energy storage, yet its efficient use in aqueous electrolytes is hindered by water decomposition and polybromides' cross‐diffusion, leading to suboptimal cell performance. This study introduces a tetrabutylammonium bromide‐based hydrated deep eutectic electrolyte with optimized water ...
Tae Pyeong Eom, Gunwoo Lee, Young Hun Cho, Younjee Lim, Seung Joon Yoo   +4 more
wiley   +1 more source

Molecular dynamics simulations of oxidized and reduced Clostridium beijerinckii flavodoxin

, 1994
Rik Leenders, Wilfred F. van Gunsteren, Herman J. C. Berendsen, Antonie J.W.G. Visser   +3 more
openalex   +1 more source

PCDTBT: Force Field Parameterization and Properties by Molecular Dynamics Simulation. [PDF]

J Phys Chem B
Kordos K, Kaklamanis K, Andrea M, Papageorgiou DG.   +3 more
europepmc   +1 more source

Highly Efficient 3D‐Printed PVDF‐Based Triboelectric Nanogenerators Featuring Polymorphic Perovskite Nanofillers

Advanced Functional Materials, EarlyView.
This study demonstrates the use of a low‐cost 3D printing technique to prepare a large‐area PVDF‐FAPbI3 composite dielectric film for flexible TENG application. The δ→α phase transformation of the FAPbI3 nanofillers has significantly improved the β‐phase content, morphology, and dielectric properties of the PVDF film.
Nurfatin Hafizah Zain Karimy, Hai Li, Hock Beng Lee, Devi Prashad Ojha, Manoj Mayaji Ovhal, Vasanthan Devaraj, Sooman Lim, Jae‐Wook Kang   +7 more
wiley   +1 more source

Protein Model Quality Estimation Using Molecular Dynamics Simulation

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

Molecular dynamics simulations of the two disaccharides of hyaluronan in aqueous solution [PDF]

, 1997
Andrew Almond, John K. Sheehan, Andy Brass   +2 more
openalex   +1 more source

Molecular Dynamics Simulation of the Dynamic Mechanical Behavior of FeNiCrMn High-Entropy Alloy. [PDF]

Nanomaterials (Basel)
Liu H, Yang N, Xiao S, Zhang H, Zhao S, Ma K, Mi N.   +6 more
europepmc   +1 more source