Results 161 to 170 of about 3,784,520 (317)

Effects of LLZO Microstructure Porosity, LLZO/Li‐Metal Interfacial Polarization Resistance, and Applied Areal Current Density on Li‐Metal Dendrite Formation in LLZO Bilayer Symmetric Cells

Advanced Functional Materials, EarlyView.
The effects of solid‐state electrolyte architecture and electrolyte/electrode interfacial polarization resistance on Critical Current Density and the risks for “interfacial” and “internal” Li‐metal dendrite formation were investigated in simulations of FIB‐reconstructed porous‐dense Li7La3Zr2O12 (LLZO) “bilayers”, providing insight for full cells ...
Tanner R. Hamann, Jon O'Neill, Eric D. Wachsman   +2 more
wiley   +1 more source

Biological Evaluation, Molecular Docking, MD Simulation Study and Synthesis of (Z)-N'-(3-phenoxybenzylidene)-2-(substituted-amino aryl) Acetohydrazid. [PDF]

J Biochem Mol Toxicol
Patel NB, Ghaisas DS, Patel VM, Shaiikh FM, Agrawal M, Imran M, Rivera G, Soni HI.   +7 more
europepmc   +1 more source

Chapter 03: Developing a Brain Tumor Clinic at MD Anderson

, 2014
In this chapter, Dr. Yung talks about his first impressions of MD Anderson and his early efforts to develop the neurology offerings at the institution.
Yung, Wai-Kwan Alfred, MD, Rosolowski, Tacey A., PhD   +1 more
core  

Sacrificial‐Layer‐Assisted Heat‐Affected‐Zone Suppression in Laser Patterning of PET for High‐Performance Flexible Devices

Advanced Functional Materials, EarlyView.
A removable sacrificial polymer layer engineers the thermal boundary condition during nanosecond laser ablation of PET, suppressing heat‐affected‐zone formation without relying on costly ultrafast lasers. This strategy enables deep, high‐aspect‐ratio trenches with no detectable heat‐affected zone, templating silver‐filled mesh electrodes with record ...
Mehdi Zarei, Mirza Sahaluddin, Mostafa Bedewy, Paul W. Leu   +3 more
wiley   +1 more source

Virtual Screening and MD Simulation-Driven Discovery of USP7 Inhibitors BML-284. [PDF]

ACS Omega
Liu T, Yan W, Hu X, Qu J, Liu J, Wang Q, Yin H, Li Z.   +7 more
europepmc   +1 more source

Cholesterol and Patched1: MD Simulation Studies [PDF]

Biophysical Journal, 2020
T. Bertie Ansell, Christian Siebold, Mark S. Sansom   +2 more
openaire   +1 more source

Nano Borophene as a Programmable 2D Scaffold for Organized DNA Assembly and Long‐Range Energy Transfer

Advanced Functional Materials, EarlyView.
Borophene is introduced as a programmable 2D bio‐interface that organizes DNA through dual boron–sulfur and nucleobase interactions. This molecular architecture enables efficient long‐range nanosurface energy transfer, establishing new design principles for functional nano–bio interfaces and amplification‐free optical biosensing.
Teresa Aditya, Pranay Saha, John M. Sansalone, Shraddha Krishnakumar, Matthew Molinaro, André J. van der Vlies, Nada Maher, Adrienne Griffiths, Zakhro Zakirova, Ketan Dighe, Narayana R. Aluru, Dipanjan Pan   +11 more
wiley   +1 more source

Virtual screening and MD simulation-guided discovery of CDK12-IN-3, a potent ALK inhibitor suppressing neuroblastoma growth <i>in vitro</i> and <i>in vivo</i>. [PDF]

Front Chem
Liu T, Hu X, Yan W, Yin H, Li Z.
europepmc   +1 more source

Nitride MXenes Beyond Carbides: Bridging the Gap Between Computational Prediction and Experimental Realization

Advanced Functional Materials, EarlyView.
Nitride MXenes remain constrained by a persistent gap between computational prediction and experimental realization. This Review identifies the thermodynamic, kinetic, and chemical barriers limiting their synthesis, critically evaluates emerging fabrication routes, and proposes a multidimensional computational‐experimental framework to accelerate the ...
Naresh Varnakavi, Masoud Soroush
wiley   +1 more source

Pharmacophore-based virtual screening, molecular docking, MD simulation, MM-GBSA energy calculation and DFT analysis for the <i>in silico</i> discovery of a SaFtsZ inhibitor. [PDF]

RSC Adv
T S, Dora Babu N, K N A, Shaik S, M S, Thapa S.   +5 more
europepmc   +1 more source