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Trajectories of ww domain
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2020-04-23
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Table 4_Mechanism of nimodipine in treating neurodegenerative diseases: in silico target identification and molecular dynamic simulation.xlsx
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Supplementary Information for "Critical Assessment of Diffusion Coefficients of Benzene and Its Derivatives in Supercritical Carbon Dioxide: Experimental Data, Molecular Dynamics Simulations, and Phenomenological Modeling"
GROMACS molecular dynamics simulation files (molecular structure, topology, run parameters).
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Simulation trajectories and inputs for "Molecular architecture of OXGR1 reveals evolutionary conserved mechanisms for metabolite surveillance"
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Molecular docking and molecular dynamics simulation studies reveal repurposing I-Motif ligand as a promising protease inhibitor against SARS-CoV-2 variants
The COVID-19 caused by the SARS-CoV-2 virus has escalated into a global pandemic, urgently necessitating effective treatments. Tremendous research of the SARS-CoV-2 main protease have enabled insight
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Metadata record for: Efficient compressed database of equilibrated configurations of ring-linear polymer blends for MD simulations
This dataset contains key characteristics about the data described in the Data Descriptor Efficient compressed database of equilibrated configurations of ring-linear polymer blends for MD simulations.
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