Results 191 to 200 of about 628,558 (285)

Energy Landscape and Kinetic Analysis of Molecular Dynamics Simulations for Intrinsically Disordered Proteins. [PDF]

J Phys Chem B
Schäffler M, Wales DJ, Strodel B.
europepmc   +1 more source

Spectrally Tunable 2D Material‐Based Infrared Photodetectors for Intelligent Optoelectronics

Advanced Functional Materials, EarlyView.
Intelligent optoelectronics through spectral engineering of 2D material‐based infrared photodetectors. Abstract The evolution of intelligent optoelectronic systems is driven by artificial intelligence (AI). However, their practical realization hinges on the ability to dynamically capture and process optical signals across a broad infrared (IR) spectrum.
Junheon Ha, Yingshan Ma, Yong Nam An, Sung‐Un An, Hyeon Hak Jung, Suvi‐Tuuli Varjamo, Jiwon Yoo, Junho Min, Hanvit Kim, Faisal Ahmed, Sang Hoon Chae, Young Min Song, Weiwei Cai, Tawfique Hasan, Zhipei Sun, Dong‐Ho Kang, Hyeon‐Jin Shin, Yunyun Dai, Hoon Hahn Yoon   +18 more
wiley   +1 more source

Evolution of Model Compounds and Functional Group Compositions for Molecular Dynamics Simulations of Aged Asphalt Binder. [PDF]

Molecules
O'Rear EA, Huang L, Zaman M.
europepmc   +1 more source

A Tracer Diffusion Study of Diverse Photo‐Ionic Phenomena in Strontium Titanate

Advanced Functional Materials, EarlyView.
Two strong interfacial photo‐ionic effects are demonstrated for the model system SrTiO3 through the application of isotope exchange experiments: UV illumination is found to enhance the oxygen surface exchange coefficient by several orders of magnitude and to depress the surface space‐charge potential substantially.
David M. Schwenkel, Timon F. Kielgas, George F. Harrington, Roger A. De Souza   +3 more
wiley   +1 more source

Computing the Dissociation Constant from Molecular Dynamics Simulations with Corrections for the Large Pressure Fluctuations-Aquaglyceroporins Have High Affinity for Their Substrate Glycerol. [PDF]

Biomolecules
Mohsin M, Loja HR, Chen LY.
europepmc   +1 more source

Integrative Approaches for DNA Sequence‐Controlled Functional Materials

Advanced Functional Materials, EarlyView.
DNA is emerging as a programmable building block for functional materials with applications in biomimicry, biochemical, and mechanical information processing. The integration of simulations, experiments, and machine learning is explored as a means to bridge DNA sequences with macroscopic material properties, highlighting current advances and providing ...
Aaron Gadzekpo, Ewa Anna Oprzeska‐Zingrebe, Mariana Kozlowska, Lennart Hilbert, Iliya D. Stoev   +4 more
wiley   +1 more source

Structural Basis for TGF-β Mimetic Peptide-Induced Signaling Activation Through Molecular Dynamics Simulations. [PDF]

Int J Mol Sci
Chen C, Ai J, Huang J, Li X, Wang Y, Tong M, Xie X, Xie Q, Xiong S.   +8 more
europepmc   +1 more source

Oral Dosed Organo‐Silica Nanoparticles Restore Glucose Homeostasis and β‐Cell Function in Diabetes Rats

Advanced Functional Materials, EarlyView.
An oral nanoplatform, MOP@T@D, which can maintain glucose homeostasis and restore islet β cells in diabetic rats is developed. It achieves efficient intestinal absorption and liver‐targeted delivery. The nanoparticle disintegrates only in response to hyperglycemia to release insulin on demand and provides antioxidant protection through selenoprotein ...
Chenxiao Chu, Mingli Wei, Che Bian, Xiaoshuang Bi, Yaxin Deng, Peifu Xiao, Jiansong Zhao, Yuying Wang, Haibing He, Jingxin Gou, Tian Yin, Xing Tang, Li Yang, Hongbo Zhang, Yu Zhang   +14 more
wiley   +1 more source

Investigating the Design of ssPalmO-Derived Lipid Nanoparticles for mRNA Delivery Applications Using Molecular Dynamics Simulations. [PDF]

ACS Omega
Barange A, Luwang MN, Meena SK.
europepmc   +1 more source