Results 141 to 150 of about 8,716,920 (283)

Molecular dynamics simulation study on macroscopic mechanical deterioration and microscopic hydration mechanism of mudstone. [PDF]

PLoS One
Hou L, Li S, Bai J, Wang C, Liu Y, Zhu Z.   +5 more
europepmc   +1 more source

Conformational Switching of Proteins on Material Surfaces Enabled by Peptide‐Oriented Adsorption

Advanced Functional Materials, EarlyView.
Responsive biointerfaces could be achieved using conformationally responsive proteins; however, their interconversion can be lost upon surface adsorption. Herein, we demonstrate that the incorporation a Au binding peptide into calmodulin allows for binding control on Au wherein the protein retains conformational switching. This capability was confirmed
Sakthirupini Ramamurthy, Kyle B. Meerbott, Lorenzo Travaglini, Garima S. Dobhal, Artur Sawicki, Marc R. Knecht, Tiffany R. Walsh, Dominic J. Glover   +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  

Molecular Dynamics Simulation of the Gas Hydrate Nucleation Process in a Coal Matrix. [PDF]

ACS Omega
Liu C, Chen Q, Zheng Z, Zang Q, Wu Q, Zhang B, Shao Z, Zhang Q, Wu Q.   +8 more
europepmc   +1 more source

Electrostatic Superlattices Beyond 1:1 Stoichiometry

Advanced Functional Materials, EarlyView.
Polymer‐mediated charge regulation drives two hierarchical routes to higher‐stoichiometry nanoparticle superlattices. Tuning the polymer's molecular weight promotes progressive interstitial filling, transforming ZnS into the fully occupied CaF2${\rm CaF}_2$ lattice. Exchanging polymer assignment between large and small nanoparticles instead breaks CsCl
Binay P. Nayak, Prapti Kakkar, Wesley P. Korba, Honghu Zhang, Wenjie Wang, Surya K. Mallapragada, Alex Travesset, David Vaknin   +7 more
wiley   +1 more source

Microscopic mechanism study of nitromethane oxidation: based on ReaxFF molecular dynamics simulation. [PDF]

RSC Adv
Deng W, Li Q, Chao Y, Chen B, Yi L.
europepmc   +1 more source

Bioinspired Co‐Assembly Enables Multiscale Architected Hydrogels for 3D Printing With Integrated Antibacterial and Bioactive Functions

Advanced Functional Materials, EarlyView.
A multicomponent supramolecular hydrogel integrating cell‐adhesive and antibacterial peptides within an alginate‐cellulose nanofibril matrix is developed. Peptide co‐assembly simultaneously strengthens the hydrogel network, improves extrusion printability, and imparts cell‐adhesive and antibacterial functions, offering a versatile platform for ...
Mor Tsuriano‐Zernichov, Francesca Netti, Sigal Rencus‐Lazar, Moran Aviv, Lihi Adler‐Abramovich   +4 more
wiley   +1 more source

Evaluation of the Therapeutic Potential of Natural Peptides Against Hemagglutinin-Esterase of Bovine Coronavirus Based on Molecular Dynamics Simulation Studies. [PDF]

Vet Med Int
Al-Battat MAH, Gharouni M, Nassiri M, Javadmanesh A, Asoodeh A, Tohidi R.   +5 more
europepmc   +1 more source

Light‐Induced Field‐Tunneling Synapses in Solution‐Processed Van Der Waals Heterostructures for Scalable, Retina‐Inspired Optical Sensing

Advanced Functional Materials, EarlyView.
A scalable, solution‐processed WSe2/ZrO2‐x van der Waals heterostructure realizes a light‐induced field‐tunneling synapse (LIFTS) that activates exclusively under bright illumination, emulating the photopic adaptation of the human retina at the device level.
Kijeong Nam, Jihyun Kim, Soobeen Ji, In Soo Kim, Sejin Kim, Eungseon Yeon, Do Kyung Hwang, Iva Plutnarová, Zdeněk Sofer, Sang Min Won, Joohoon Kang   +10 more
wiley   +1 more source

CO2 Capture by Hyperbranched Poly(alkylene imine) Thin Films: A Molecular Dynamics Simulation Approach. [PDF]

J Phys Chem B
Weber Nakamura GR, Chen J, Kwon SH, Jang SS.   +3 more
europepmc   +1 more source