Results 1 to 10 of about 1,951,898 (293)

Shigella IpaA mediates actin bundling through diffusible vinculin oligomers with activation imprint

Cell Reports, 2023
Summary: Upon activation, vinculin reinforces cytoskeletal anchorage during cell adhesion. Activating ligands classically disrupt intramolecular interactions between the vinculin head and tail domains that bind to actin filaments.
Cesar Valencia-Gallardo, Daniel-Isui Aguilar-Salvador, Hamed Khakzad, Benjamin Cocom-Chan, Charles Bou-Nader, Christophe Velours, Yosra Zarrouk, Christophe Le Clainche, Christian Malosse, Diogo Borges Lima, Nicole Quenech’Du, Bilal Mazhar, Sami Essid, Marc Fontecave, Atef Asnacios, Julia Chamot-Rooke, Lars Malmström, Guy Tran Van Nhieu   +17 more
doaj   +1 more source

A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids

Molecules, 2017
In all of the classical force fields, electrostatic interaction is simply treated and explicit electronic polarizability is neglected. The condensed-phase polarization, relative to the gas-phase charge distributions, is commonly accounted for in an ...
Huiying Chu, Xiangda Peng, Yan Li, Yuebin Zhang, Guohui Li   +4 more
doaj   +1 more source

Implementing Optogenetic Modulation in Mechanotransduction

Physical Review X, 2020
Molecular optogenetic switch systems are extensively employed as a powerful tool to spatially and temporally modulate a variety of signal transduction processes in cells.
Miao Yu, Shimin Le, Samuel Barnett, Zhenhuan Guo, Xueying Zhong, Pakorn Kanchanawong, Jie Yan   +6 more
doaj   +1 more source

Patterning-mediated supramolecular assembly of lipids into nanopalms

iScience, 2022
Summary: At nanoconfined interfaces, a micellar ink of lipids was programmed to transform into various secondary structures such as discs, sheets, or sheet and discs via patterning-mediated self-assembly facilitated by polymer pen lithography ...
Samar A. Alsudir, Alhanouf Alharbi, Abdulaziz M. Almalik, Ali H. Alhasan   +3 more
doaj   +1 more source

Tetrahedrality, hydrogen bonding and the density anomaly of the central force water model. A Monte Carlo study

Condensed Matter Physics, 2021
Monte Carlo computer simulations in the canonical and grand canonical statistical ensemble were used to explore the properties of the central force (CF1) water model.
V. Ravnik, B. Hribar-Lee, O. Pizio, M. Lukšič   +3 more
doaj   +1 more source

Isolation of Cellulose Nanofibers: Effect of Biotreatment on Hydrogen Bonding Network in Wood Fibers

International Journal of Polymer Science, 2011
The use of cellulose nanofibres as high-strength reinforcement in nano-biocomposites is very enthusiastically being explored due to their biodegradability, renewability, and high specific strength properties. Cellulose, through a regular network of inter-
Sreekumar Janardhnan, Mohini Sain
doaj   +1 more source

On the zwitterionic nature of gas-phase peptides and protein ions. [PDF]

PLoS Computational Biology, 2010
Determining the total number of charged residues corresponding to a given value of net charge for peptides and proteins in gas phase is crucial for the interpretation of mass-spectrometry data, yet it is far from being understood.
Roberto Marchese, Rita Grandori, Paolo Carloni, Simone Raugei   +3 more
doaj   +1 more source

RETRACTED ARTICLE: Comparing ANI-2x, ANI-1ccx neural networks, force field, and DFT methods for predicting conformational potential energy of organic molecules

Scientific Reports
In this study, the conformational potential energy surfaces of Amylmetacresol, Benzocaine, Dopamine, Betazole, and Betahistine molecules were scanned and analyzed using the neural network architecture ANI-2 × and ANI-1ccx, the force field method OPLS ...
Mozafar Rezaee, Saeid Ekrami, Seyed Majid Hashemianzadeh   +2 more
doaj   +1 more source

Hydrogen Intramolecular Stretch Redshift in the Electrostatic Environment of Type II Clathrate Hydrates from Schrödinger Equation Treatment

Applied Sciences, 2020
The one-dimensional Schrödinger equation, applied to the H2 intramolecular stretch coordinate in singly to quadruply occupied large cages in extended Type II (sII) hydrogen clathrate hydrate, was solved numerically herein via potential-energy scans from ...
Christian J. Burnham, Zdenek Futera, Zlatko Bacic, Niall J. English   +3 more
doaj   +1 more source

The role of activated carbon nanoparticles on hydro-degumming non-edible vegetable oils

Alexandria Engineering Journal, 2022
This study aims to assess the role of activated carbon nanoparticles in hydro-degumming non-edible vegetable oils. Bamboo Activated Carbon Nanoparticles (BAC-NPs) is added to oils in degumming process.
Syahruddin Syahruddin, Lilis Yuliati, Denny Widhiyanuriyawan, I.N.G. Wardana   +3 more
doaj   +1 more source