Authors: Ragousandirane Radjasandirane, Alexandre G. de Brevern

Published on: March 19, 2024

Impact Score: 7.8

Arxiv code: Arxiv:2403.12668

Summary

• What is new: Guidance for non-specialist users on optimizing AlphaFold2 (AF2) models with additional biological information.
• Why this is important: Non-specialists struggle to maximize the quality of AF2 models for practical applications.
• What the research proposes: Using tools like ColabFold for structure prediction and AlphaFill or MODELLER for enhancing AF2 models with cofactors, ligands, and disulfide bridges.
• Results: Improved quality of biological models for applications in drug design, protein interaction, and molecular dynamics studies.

Technical Details

Technological frameworks used: ColabFold for structure prediction, AlphaFill, and MODELLER for model enhancement

Models used: AlphaFold2

Data used: nan

Potential Impact

Biotech, pharmaceuticals, and academic research institutions

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