Found 5 datasets matching "molecular modelling".
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The advancement of protein structural prediction tools, exemplified by AlphaFold and Iterative Threading ASSEmbly Refinement, has enabled the prediction of protein structures across species based...
Search relevance: 48.72 | Views last month: 0 -
The data involves a prediction of phototoxicities of nano-materials. The prediction is based on the calculated triplet excited states of fullerenols and single-walled carbon nanotubes. The model...
Search relevance: 46.81 | Views last month: 1 -
Over the past decade there has been a significant shift to the use of murine models for investigations into the molecular basis of respiratory diseases, including asthma and chronic obstructive...
Search relevance: 38.89 | Views last month: 0 -
The key enzyme in coronavirus polyprotein processing is the viral main proteinase, Mpro, a protein with extremely low sequence similarity to other viral and cellular proteinases. Here, the crystal...
Search relevance: 37.93 | Views last month: 0 -
Due to the increasing diversity of organic contaminants discharged into anoxic water environments, reactivity prediction is necessary for chemical persistence evaluation for water treatment and...
Search relevance: 30.77 | Views last month: 1
