Results 221 to 230 of about 9,913,960 (313)

A FAIR-Compliant Management Solution for Molecular Simulation Trajectories. [PDF]

J Chem Inf Model
Vitalis A, Winkler S, Zhang Y, Widmer J, Caflisch A.   +4 more
europepmc   +1 more source

Molecular simulation of nonfacilitated membrane permeation.

Biochimica et Biophysica Acta, 2016
Ernest Awoonor-Williams, C. Rowley
semanticscholar   +1 more source

Mechanochemistry‐Assisted Solvent‐Free Supramolecular Engineering for Atomic‐Layered Carbon Nitride Nanosheets with Enhanced Photocatalytic Hydrogen Evolution

Advanced Functional Materials, EarlyView.
A solvent‐free mechanochemistry‐enabled supramolecular engineering strategy is developed to directly synthesize covalent‐interconnected two‐dimensional atomic‐layered carbon nitride nanosheets photocatalyst, bypassing conventional top‐down exfoliation requirements.
Fanglei Yao, Jingwen Sun, Huiru Duan, Yongsheng Fu, Jin Wang, Liming Dai, Jingsan Xu, Junwu Zhu   +7 more
wiley   +1 more source

Nonuniform Chiralization of Metal–Organic Frameworks Using Imine Chemistry

ACS Materials Au
Balázs Álmos Novotny, Sauradeep Majumdar, Andres Ortega-Guerrero, Kevin Maik Jablonka, Elias Moubarak, Natalia Gasilova, Nency P. Domingues, Raluca-Ana Kessler, Emad Oveisi, Fatmah Mish Ebrahim, Berend Smit   +10 more
doaj   +1 more source

Recent Techniques to Improve Amorphous Dispersion Performance with Quality Design, Physicochemical Monitoring, Molecular Simulation, and Machine Learning. [PDF]

Pharmaceutics
Bhatta HP, Han HK, Maharjan R, Jeong SH.
europepmc   +1 more source

Implementation of Drug‐Induced Rhabdomyolysis and Acute Kidney Injury in Microphysiological System

Advanced Functional Materials, EarlyView.
A modular Muscle–Kidney proximal tubule‐on‐a‐chip integrates 3D skeletal muscle and renal proximal tubule tissues to model drug‐induced rhabdomyolysis and acute kidney injury. The coculture system enables dynamic tissue interaction, functional contraction monitoring, and quantification of nephrotoxicity, revealing drug side effect‐induced metabolic ...
Jaesang Kim, Zhuo Feng Lee, Gi‐Dong Sim, Sejoong Kim, Jessie S. Jeon   +4 more
wiley   +1 more source

Targeting Ubiquitin-Specific Protease 7 (USP7): A Pharmacophore-Guided Drug Repurposing and Physics-Based Molecular Simulation Study. [PDF]

ACS Omega
Kanan D, Kanan T, Dogan B, Erol I, Durdağı S.   +4 more
europepmc   +1 more source

Miniature Nanomesh Mechano‐Acoustic Sensor with Wide Linear Dynamic Range, Broad Bandwidth, and Flat Frequency Response

Advanced Functional Materials, EarlyView.
A miniaturized mechano‐acoustic sensor is developed using an electrospun PVDF nanomesh as the diaphragm in a capacitive sensor structure. Unlike conventional nanomesh‐based sensors, it achieves high linear sensitivity, a broad and flat frequency response, and a compact form factor.
Jeng‐Hun Lee, Kang Hyuk Cho, Seojin Yun, Siyoung Lee, Woongji Kim, Yunsik Kim, Wonkyu Moon, Yoonyoung Chung, Kilwon Cho   +8 more
wiley   +1 more source

Molecular Simulation of the Isotropic-to-Nematic Transition of Rod-like Polymers in Bulk and Under Confinement. [PDF]

Polymers (Basel)
Yan B, Martínez-Fernández D, Foteinopoulou K, Karayiannis NC.   +3 more
europepmc   +1 more source