Your docking pose is only as trustworthy as your starting coordinates. Here is a systematic guide to navigating the PDB, avoiding common pitfalls, and future-proofing your workflow for the coming mmCIF era.
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A guide for researchers on avoiding common methodological errors in molecular dynamics, from structure preparation to force field selection and experimental validation.
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Practical guide to checking AlphaFold-predicted protein models using pLDDT, PAE, geometry validation tools, structural comparisons, and functional tests.
Mar 28, 2024