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Trajectories dataTrajectories of WW domain
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2020-04-23
相关数据集
Signal propagation within the MCL-1/BIM protein complex - DATA
Data supporting: "Signal propagation within the MCL-1/BIM protein complex"; Journal of Molecular Biology (JMB), February 2022 (DOI: 10.1016/j.jmb.2022.167499).
NIAID Data Ecosystem50
Pub1-PRE experimental data.zip
Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
Figshare2016-04-21 更新10
MM/GBSA binding free energy composition. Major contributions are highlighted in bold text. MM contributions: Molecular mechanics contributions represent the internal and intermolecular energies of the molecular system in a vacuum or in an explicit solvent. PB contributions: The Poisson-Boltzmann equation is used to represent solvation effects, particularly electrostatic solvation, utilizing an implicit solvent model. It is calculated as: ΔG = ΔGMM +ΔGPB. The Cluster Fracc. The column represents the percentage of time that the cluster is present in the entire 300 ns trajectory.
MM/GBSA binding free energy composition. Major contributions are highlighted in bold text. MM contributions: Molecular mechanics contributions represent the internal and intermolecular energies of the
NIAID Data Ecosystem10
Reactive Dynamics Simulation Study on the Pyrolysis of Polymer Precursors To Generate Amorphous Silicon Oxycarbide Structures
Amorphous silicon oxycarbide (SiOC) ceramics have extensive applications as structural and functional materials because of their unique properties. Preparation of SiOC from the pyrolysis of polymer pr
NIAID Data Ecosystem30
A New Hypothesis for the Dissolution Mechanism of Silicates
A novel mechanism for protonating bridging O atoms (Obr) and dissolving silica is proposed that is consistent with experimental data and quantum mechanical simulations of the α-quartz (101)/water inte
NIAID Data Ecosystem10
