Molecular dynamics of inflammation resolution: therapeutic implications by Amro M. Soliman, Mohamed Soliman, Syed Sajid Hussain Shah, Habeeb Ali Baig, Nawal Salama Gouda, Bandar Theyab Alenezi, Awwad Alenezy, Ahmed M. S. Hegazy, Muhammad Jan, Elhassan Hussein Eltom

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Molecular dynamics simulation of uranium nitride oxidation by Galashev Alexander Y., Zaikov Yurii P., Abramova Kseniya A., Rakhmanova Oksana R., Mochalov Yurii S.

“…A molecular dynamic simulation of the uranium mononitride (UN) oxidation in an Ar–O medium in the temperature range of 373–2073 K is performed. …”
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Molecular Dynamics Simulations of Deformation Behaviour of Gold Nanowires by S. K. Joshi, Kailash Pandey, Sanjeev K. Singh, Santosh Dubey

“…Computational techniques based on classical molecular dynamics simulations (using LAMMPS) provide an effective mean to understand the mechanical deformation behaviour of such nanowires with considerable accuracy and predictability. …”
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Identifying the molecular dynamics of stress in chronic fatigue syndrome by Petros Paplomatas, Konstantina Skolariki, Aristidis G. Vrahatis

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Molecular dynamics study of stiffness and rupture of axonal membranes by Maryam Majdolhosseini, Svein Kleiven, Alessandra Villa

Subjects: “…Molecular dynamics…”
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Advances in nonequilibrium molecular dynamics simulations of lubricants and additives by J. P. Ewen, D. M. Heyes, D. Dini

Subjects: “…molecular dynamics…”
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Molecular Dynamics Characteristics and Model of Vehicle-Following Behavior by Yanfeng Jia, Dayi Qu, Xiaolong Ma, Lu Lin, Jiale Hong

“…Vehicle-following characteristics are studied, and the molecular following model is established based on molecular dynamics. The model parameters under different conditions are calibrated considering the required safety distance by the vehicle and the reaction time of the driver. …”
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Interaction of Ethanolamine with Magnetite Through Molecular Dynamic Simulations by Nikoleta Ivanova, Vasil Karastoyanov, Iva Betova, Martin Bojinov

“…In that context, the adsorption of MEA and ethanol–ammonium cation on the {111} surface of magnetite was studied using the molecular dynamics (MD) method. A modified version of the mechanical force field (ClayFF) was used. …”
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Modeling the Mechanisms of Clay Damage by Molecular Dynamic Simulation by Luchao Jin, Ahmad Jamili, Liangliang Huang, Felipe Perez

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Molecular Dynamics of "Fuzzy" Transcriptional Activator-Coactivator Interactions. by Natalie S Scholes, Robert O J Weinzierl

“…Here we used atomistic accelerated molecular dynamics (aMD) simulations to study the conformational changes of the GCN4 AD and variants thereof, either free in solution, or bound to the GAL11 coactivator surface. …”
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Molecular dynamics study of interstitial He clusters in nickel by Giridhar Nandipati, David J. Senor, Andrew M. Casella, Ayoub Soulami

“…This study presents a molecular dynamics analysis focusing on the behavior of interstitial helium (He) clusters in nickel (Ni), examining their formation, stability, and migration energetics. …”
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Antibiotic degradation: A microscopic look at molecular dynamics by Liu Keliang, Zang Yuanfu, Fu Dexin, Liang Xianjun

“…In this paper, the effects of active substances in low-temperature plasmas on macromolecular organic compounds are studied by molecular dynamics simulation and reaction force field simulation. …”
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Viscoelastic properties of wheat gluten in a molecular dynamics study. by Łukasz Mioduszewski, Marek Cieplak

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Crack propagation in nanograined titanium diboride: Molecular dynamics study by Vadym Shvernyk, Alla Kuryliuk, Vasyl Kuryliuk

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The glass transition temperature investigation of polymers by molecular dynamic simulations by П. Саидахметов, И. Пиянзина, Г. Байман, О. Недопекин, Д. Таюрский

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The State-of-the-Art Review on Molecular Dynamics Simulation of Asphalt Binder by Xin Qu, Dawei Wang, Linbing Wang, Yucheng Huang, Yue Hou, Markus Oeser

“…As a new emerging powerful numerical tool, the molecular dynamics (MD) simulation has been developed to study the asphalt binder material from a micro perspective. …”
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Molecular dynamics model of mechanophore sensors for biological force measurement by Sumit Mittal, Rongsheng E. Wang, Robert Ros, Alison E. Ondrus, Abhishek Singharoy

“…These sensors are characterized using a multiscale approach combining equilibrium and steered QM/MM molecular dynamics models to capture the chemical, mechanical, and conformational transitions underlying force activation thresholds on a nano Newton scale. …”
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Molecular dynamics simulation on glass transition temperature of isomeric polyimide

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StreaMD: the toolkit for high-throughput molecular dynamics simulations by Aleksandra Ivanova, Olena Mokshyna, Pavel Polishchuk

Subjects: “…Molecular dynamics…”
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Simulating open-system molecular dynamics on analog quantum computers by Vanessa C. Olaya-Agudelo, Ben Stewart, Christophe H. Valahu, Ryan J. MacDonell, Maverick J. Millican, Vassili G. Matsos, Frank Scuccimarra, Ting Rei Tan, Ivan Kassal

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