Thinklab-SJTU/awesome-molecular-docking
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
This is a curated collection of resources for understanding how molecules, such as potential drug compounds, interact with proteins. It provides links to scientific papers, datasets, and software that help predict how a small molecule or another protein will bind to a target protein, which is crucial for drug discovery and understanding biological processes. Researchers in biochemistry, pharmacology, and computational biology would find this useful for their work.
106 stars. No commits in the last 6 months.
Use this if you are a life scientist or drug developer looking for tools, research, or data to predict how molecules bind to proteins for drug design or biological pathway analysis.
Not ideal if you are looking for an executable program or a specific software tool to download and run directly without further research.
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106
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7
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MIT
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Last pushed
Feb 23, 2023
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