Results 321 to 330 of about 1,994,057 (402)

Rapid, Accurate and Reproducible Prediction of the Glass Transition Temperature Using Ensemble-Based Molecular Dynamics Simulation. [PDF]

J Chem Theory Comput
Suter JL, Müller WA, Vassaux M, Anastasiou A, Simmons M, Tilbrook D, Coveney PV.   +6 more
europepmc   +1 more source

Asymmetric Nanofiber Membranes for Simultaneous Moisture Adsorption and Rapid Catalytic Hydrolysis of Nerve Agent Simulants in Atmospheric Environments

Advanced Functional Materials, EarlyView.
Asymmetric nanofiber membranes are constructed for simultaneous moisture adsorption and catalytic hydrolysis of dimethyl 4‐nitrophenyl phosphate (DMNP) in a wide range of relative humidity. The membrane exhibits high moisture adsorption capacity and fast hygroscopic rate.
Xuejiao Wang, Yu‐Xuan Zheng, Chen Ding, Ming Zhang, Zhong‐Zhen Yu, Shaobin Wang, Dongzhi Yang   +6 more
wiley   +1 more source

How Binding Site Flexibility Promotes RNA Scanning by TbRGG2 RRM: A Molecular Dynamics Simulation Study. [PDF]

J Chem Inf Model
Lemmens T, Šponer J, Krepl M.
europepmc   +1 more source

Native Lignin Migration and Clustering in Wood: Superhydrophobic, Antimold, and Tribonegative Layers for Rain‐Driven Electrification

Advanced Functional Materials, EarlyView.
This study proposes a sustainable solution for rainwater‐driven energy harvesting by harnessing the intrinsic properties of lignin in wood. The first demonstration of an all‐wood tribonegative material for liquid–solid triboelectric nanogenerators is presented, eliminating the need for fluorine‐containing polymers and functional additives. Abstract The
Xuetong Shi, Ran Bi, Xin Shu, Peipei Wang, Yeedo Chun, Zhixiang Chen, Chris Zhou, Yi Lu, Orlando J. Rojas   +8 more
wiley   +1 more source

MolDy: molecular dynamics simulation made easy. [PDF]

Bioinformatics
Khan MI, Pathania S, Al-Rabia MW, Ethayathulla AS, Khan MI, Allemailem KS, Azam M, Hariprasad G, Imran MA.   +8 more
europepmc   +1 more source

Synthetic Strategy for mRNA Encapsulation and Gene Delivery with Nanoscale Metal‐Organic Frameworks

Advanced Functional Materials, EarlyView.
This research utilizes the ZIF‐8 for the encapsulation and intracellular delivery of nucleic acids, specifically mRNA, for applications in gene delivery. Integrating PEI addresses the issue of mRNA leakage from ZIF‐8, resulting in the delivery and expression of green fluorescent protein (GFP) in vitro and firefly luciferase in vivo.
Harrison Douglas Lawson, Huy Hoang Nguyen, Keng‐Jung Lee, Nattarat Wongsuwan, Ayesha Tupe, Mengrou Lu, Mariah Lynn Arral, Anne Behre, Zihan Ling, Kathryn Ann Whitehead, Adam Walter Feinberg, Xi Ren, Si‐Yang Zheng   +12 more
wiley   +1 more source

Molecular dynamics simulation of extraction of Curcuma longa L. extract using subcritical water. [PDF]

Sci Rep
Gazmeh M, Khajenoori M, Yousefi-Nasab S, Haghighi Asl A.   +3 more
europepmc   +1 more source

Molecular Dynamics Simulation of Membrane Distillation for Different Salt Solutions in Nanopores. [PDF]

Molecules
Li J, Ding Y, Qin J, Zhu C, Gong L.
europepmc   +1 more source

The effect of coherent twin boundary migration on the deformation mechanism of Fe-Ni nanowires: molecular dynamics simulation. [PDF]

RSC Adv
Shi W, Cai J, Zhang Y, Lin J.
europepmc   +1 more source