lujiarui/Str2Str
Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)
Str2Str helps computational biologists explore how a protein might fold and move by generating various structural arrangements, known as conformations. You provide an initial protein structure, perhaps from a prediction tool like AlphaFold2, and it outputs a diverse set of possible 3D protein shapes. This tool is designed for researchers studying protein function, drug discovery, or molecular dynamics.
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Use this if you need to generate multiple plausible 3D structures for a protein to understand its flexibility or to screen potential drug binding sites, especially when experimental data is limited.
Not ideal if you're looking for a tool to predict a single, static protein structure from its amino acid sequence, as this assumes an initial structure is already available.
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Language
Python
License
MIT
Category
Last pushed
Mar 07, 2024
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