Minimal requirements for efficient, light-driven unidirectional molecular rotation
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Table 4_Mechanism of nimodipine in treating neurodegenerative diseases: in silico target identification and molecular dynamic simulation.xlsx
AimNimodipine has shown neuroprotective effects in several studies; however, the specific targets and mechanisms remain unclear. This study aims to explore the potential targets and mechanisms of nimo
NIAID Data Ecosystem10
Extent of the unfolded region of the γ chain (N- and C-terminal amino acids of the unfolded region) and secondary structure content (number of amino acids adopting given type of secondary structure) of the unfolded region of the γ chain averaged over the last 25 ns of simulation.
Extent of the unfolded region of the γ chain (N- and C-terminal amino acids of the unfolded region) and secondary structure content (number of amino acids adopting given type of secondary structure) o
NIAID Data Ecosystem10
Simulation trajectories and inputs for "Molecular architecture of OXGR1 reveals evolutionary conserved mechanisms for metabolite surveillance"
Simulation trajectories and inputs for "Molecular architecture of OXGR1 reveals evolutionary conserved mechanisms for metabolite surveillance"
Figshare2025-05-07 更新00
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
Taylor & Francis Group2024-11-02 更新10
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.
Figshare2022-02-07 更新00
