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A versatile browser-based platform for molecular dynamics simulation and visualization

• Authors : Zhang, Yang; Zhang, Yang

Subjects: Drug discovery; Molecular dynamics simulation; Computer-aided drug discovery

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Elements: Streaming Molecular Dynamics Simulation Trajectories for Direct Analysis – Applications to Sub-Picosecond Dynamics in Microsecond Simulations

• Authors : Heyden, Matthias

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Determining the properties of CaO-Al2O3-SiO2 slags from molecular dynamics simulation

• Authors : Zhu, Mengyi; Safarian, Jafar

Subjects: Slag; Properties; Structure

• Source: MOLTEN2024, 12th International Conference on Molten Slags, Fluxes and Salts, Brisbane, Australia, 17-19 June 2024

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Characterizing Molecular Dynamics Simulation on Commodity Platforms

• Authors : Peverelli, Francesco; Conficconi, Davide; Bartolini, Davide Basilio

Subjects: 0103 physical sciences; 01 natural sciences

• Source: 2022 IEEE International Symposium on Workload Characterization (IISWC). :65-78

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Reaction dynamics by time-resolved wave packet spectroscopies & molecular dynamics simulation

• Authors : Heo, Wooseok; Kim, JunWoo; Lee, Changmin ...

Subjects: Nuclear Wave Packets; Chemistry [Science]; Molecular Dynamics Simulation

• Source: Proc. Of the 7th Asian Spectroscopy Conference (ASC 2020).

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Analysis of the dominant mutation N188T of human connexin46 (hCx46) using concatenation and molecular dynamics simulation

• Authors : Patrik Schadzek; Yannick Stahl; Matthias Preller

Subjects: 0301 basic medicine; dominant inheritance; Dewey Decimal Classification::500 | Naturwissenschaften::570 | Biowissenschaften, Biologie

• Source: FEBS Open BioFEBS Open Bio, Vol 9, Iss 5, Pp 840-850 (2019)

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Molecular dynamics simulation on the effect of transition metal binding to the N-terminal fragment of amyloid-β

• Authors : James Alexis Platts; Shaun T. Mutter; Matthew Turner

Subjects: 0301 basic medicine; 03 medical and health sciences; Amyloid beta-Peptides

• Source: Journal of Biomolecular Structure and Dynamics. 37:4590-4600

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Ethanol oxidation with high water content: A reactive molecular dynamics simulation study

• Authors : Muye Feng; Xi Zhuo Jiang; Weilin Zeng

Subjects: 13. Climate action; Molecular dynamics simulation; 0202 electrical engineering, electronic engineering, information engineering

• Source: Fuel. 235:515-521

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Supramolecular Nucleoside-Based Gel: Molecular Dynamics Simulation and Characterization of Its Nanoarchitecture and Self-Assembly Mechanism: Molecular Dynamics Simulation and Characterization of Its Nanoarchitecture and Self-Assembly Mechanism

• Authors : Maria G. F. Angelerou; Pim W. J. M. Frederix; Matthew Wallace

Subjects: STD-NMR; ANALOGS; NUCLEOSIDES

• Source: Langmuir

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Size dependent change of mean square displacement in gold nanocrystals: A molecular dynamics simulation

• Authors : Merdan Batyrow; İlknur Eruçar; Hande Öztürk ...

Subjects: Mean square displacement; Gold nanoparticle; Molecular dynamics simulations

• Source: Concurrency and Computation: Practice and Experience. 35

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