Results 131 to 140 of about 1,015,340 (312)

Scalable molecular dynamics with NAMD

Journal of Computational Chemistry, 2005
James C. Phillips, Rosemary Braun, Wei Wang, J. Gumbart, E. Tajkhorshid, E. Villa, C. Chipot, R. Skeel, L. Kalé, K. Schulten   +9 more
semanticscholar   +1 more source

High‐Concentration Mesogen‐Assisted Exfoliation of Low‐Dimensional Nanomaterials for Achieving Ultralow‐Temperature Actuations of Liquid Crystal Elastomers

Advanced Functional Materials, EarlyView.
Most matter is nominally frozen in the polar regions or space, and liquid crystal materials are no exception. Consequently, soft actuators, including liquid crystal elastomers (LCEs), are inoperative under such extreme cold in response to stimuli, as their motion relies on mechanical deformation.
Hyeonseong Kim, Yeon Gyeong Ha, Dong‐Gue Kang, Chinedum O. Osuji, Dae Seok Kim, Changyeon Lee   +5 more
wiley   +1 more source

Molecular Dynamics Simulations Elucidate the Mechanism of Proton Transport in the Glutamate Transporter EAAT3 [PDF]

, 2014
Germano Heinzelmann, Serdar Kuyucak
openalex   +1 more source

3D Bioinspired Hair‐Based Solar Evaporator for Efficient Water Harvesting

Advanced Functional Materials, EarlyView.
A bio‐derived solar evaporator inspired by blackbody radiation is developed using human hair waste. The vertically aligned hair structure enables broadband light absorption, efficient thermal localization, and rapid water transport, achieving high evaporation rates and stable desalination performance.
Yi Liu, Xuhui Sun, Jiaxian Zheng, Xiangfeng Lin, Jianqiushi Ma, Swellam Wafa Abdellatif Ali Sharshir, Liwei Wang, Meng An, Jie Wang, Yusuke Yamauchi, Zhanhui Yuan   +10 more
wiley   +1 more source

Microscopic mechanism on coalescence of the nano-droplets in present non-uniform electric field by molecular dynamics simulations [PDF]

, 2016
Qicheng Chen, Jie Ma, Bingbing Wang, Yingjin Zhang   +3 more
openalex   +1 more source

Biosupercapacitors for Human‐Powered Electronics

Advanced Functional Materials, EarlyView.
Biosupercapacitors are emerging as biocompatible and integrative energy systems for next‐generation bioelectronics, offering rapid charge–discharge performance and mechanical adaptability. This review systematically categorizes their applications from external to organ‐level systems and highlights their multifunctional roles in sensing, actuation, and ...
Suhyeon Kim, Seungho Baek, Woojung Jung, Hayeon Bae, Junyoung Mun, Yong Ho Kim, Sunkook Kim, Jung Ho Kim   +7 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  

Emergence of Light‐Transforming Layered Hybrid Halide Perovskites

Advanced Functional Materials, EarlyView.
The emerging class of light‐transforming layered halide perovskite materials is reviewed, outlining challenges for their development and perspectives toward application in the future. Abstract Layered hybrid halide perovskites (LHPs) have attracted considerable attention in optoelectronics.
Ghewa AlSabeh, Jovana V. Milić
wiley   +1 more source

Molecular dynamics simulation of thermal activation of human TRPV1. [PDF]

Mol Biol Res Commun
Bermudes-Contreras JD, Arratia-Cortés LM, Ramírez-Moreno ME, Zamora-López B, López-Camarillo C, Marchat LA, Zamorano-Carrillo A.   +6 more
europepmc   +1 more source

Nano-zerovalent copper biochar composite for treating selenium oxyanions in water: synthesis, evaluation, removal mechanism, density functional theory, and molecular dynamics simulations

Mahvish Abbasi, Osama Shaheen Rizvi, Syed Zajif Hussain, Asim Jilani, Faisal A. Osra, George William Kajjumba, Amit Bhatnagar, Eakalak Khan, Tauqeer Abbas   +8 more
openalex   +1 more source