Suchergebnisse - "Molecular Dynamics Simulation"

PubPharm (417)

1

Structural and Transport Properties of Hydrophilic and Hydrophobic Modified Ionomers in Proton Exchange Membrane Fuel Cells

in: Polymers | 2024

von Qinjiang Zhang | Chao Wang | Lina Yu | +3

2

SAR, Molecular Docking and Molecular Dynamic Simulation of Natural Inhibitors against SARS-CoV-2 Mpro Spike Protein

in: Molecules | 2024

von Aqsa Salamat | Naveen Kosar | Ayesha Mohyuddin | +3

3

Study on the Effects of Wettability and Pressure in Shale Matrix Nanopore Imbibition during Shut-in Process by Molecular Dynamics Simulations

in: Molecules | 2024

von Wen Jiang | Weifeng Lv | Ninghong Jia | +4

4

Novel Scaffold Agonists of the α

in: Molecules | 2024

von Shiyang Sun | Pengyun Li | Jiaqi Wang | +6

5

Mechanism of Mutation-Induced Effects on the Catalytic Function of TEV Protease: A Molecular Dynamics Study

in: Molecules | 2024

von Jingyao Wang | Yicong Xu | Xujian Wang | +2

6

Effect of Carboxyl Group Position on Assembly Behavior and Structure of Hydrocarbon Oil–Carboxylic Acid Compound Collector on Low-Rank Coal Surface: Sum-Frequency Vibration Spectroscopy and Coarse-Grained Molecular Dynamics Simulation Study

in: Molecules | 2024

von Zechen Liu | Xianshu Dong | Yinfei Liao | +2

7

Identification of Phytochemicals from Arabian Peninsula Medicinal Plants as Strong Binders to SARS-CoV-2 Proteases (3CL

in: Molecules | 2024

von Quaiser Saquib | Ahmed H. Bakheit | Sarfaraz Ahmed | +3

8

Glass Transition Temperatures and Thermal Conductivities of Polybutadiene Crosslinked with Randomly Distributed Sulfur Chains Using Molecular Dynamic Simulation

in: Polymers | 2024

von Tannaz Alamfard | Tommy Lorenz | Cornelia Breitkopf

9

Investigating Biomolecules in Deep Eutectic Solvents with Molecular Dynamics Simulations: Current State, Challenges and Future Perspectives

in: Molecules | 2024

von Jan Philipp Bittner | Irina Smirnova | Sven Jakobtorweihen

10

Computational Approaches to Evaluate the Acetylcholinesterase Binding Interaction with Taxifolin for the Management of Alzheimer’s Disease

in: Molecules | 2024

von Varish Ahmad | Ibrahim Alotibi | Anwar A. Alghamdi | +3

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