Results 201 to 210 of about 291,774 (264)

Interaction‐Driven Assembly Pathways in Heterogeneous Active Microrobotic Systems

Advanced Functional Materials, EarlyView.
Peanut‐ and cube‐shaped light‐powered microrobots exhibit distinct magnetic and photocatalytic responses that determine their heterogeneous self‐assembly. In the dark, magnetic dipole interactions drive colloidal copolymerization with cubes acting as nucleation centers, whereas under light irradiation, phoretic interactions compete with magnetic ...
Domenico Calabrò, Roshan Velluvakandy, Martin Pumera, Francesco Priolo, Salvo Mirabella, Mario Urso   +5 more
wiley   +1 more source

Deciphering the molecular mechanisms of BPTF interactions with nucleosomes via molecular simulations. [PDF]

Biophys J
Hebert R, Wereszczynski J.
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

Role of Lignin in Hot-Pressing of Paper: Insights from Molecular Simulations and Experiments. [PDF]

Biomacromolecules
Elf P, Mattsson A, Paajanen A, Ketoja JA, Pettersson G, Sanchez-Salvador JL, Blanco A, Negro C, Engstrand P, Hedenqvist MS, Nilsson F.   +10 more
europepmc   +1 more source

Mineral Deposition From Liquid Precursors Triggered by Complementary Polyelectrolytes

Advanced Functional Materials, EarlyView.
Polyelectrolyte additives can delay or prevent crystal nucleation in supersaturated solutions of insoluble mineral salts such as calcium carbonate. This work reports that adding a second, oppositely‐charged polyelectrolyte leads to immediate mineral crystallization from such metastable solutions.
Mohammed Kayes Patoary, Eli Halperin Pierce, Elizabeth Siu, Brigitte Gallagher, Md Abul Shahid, Yang Zhang, Thomas B. H. Schroeder   +6 more
wiley   +1 more source

Integrative molecular simulations reveal NeuroAid II mechanisms in ischemic stroke through network pharmacology, molecular dynamics, and pharmacophore modeling. [PDF]

Sci Rep
Dermawan D, Simatupang ST, Nadia N, Tan S, Tjandrawinata RR.   +4 more
europepmc   +1 more source

Molecular simulations meet personalized medicine: The mechanism of action of CLC-5 antiporter and the origin of Dent's disease. [PDF]

PNAS Nexus
Macaluso V, Pérez C, Soliva R, Westermaier Y, Díaz L, Wieczór M, Orozco M.   +6 more
europepmc   +1 more source

The TEMPO integrator: accelerating molecular simulations by temporally multiscale force prediction. [PDF]

Bioinform Adv
Mintz R, Raveh B.
europepmc   +1 more source

Monomer exchange dynamics in ureido-pyrimidinone supramolecular polymers <i>via</i> molecular simulations.

J Mater Chem B
Cardellini A, Caruso C, Rijns L, Dankers PYW, Pavan GM, Perego C.   +5 more
europepmc   +1 more source