rmn bio dyn 2305 - fédération de recherche chimie … départ d’une conformation aléatoire...
TRANSCRIPT
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- Départ d’une conformation aléatoire
- coordonnées internes (angles dièdres de la molécule)
- On introduit progressivement les contraintes entre acides aminés i & j (! = j - i croissant)
- Minimisation à chaque étape d’une fonction de score (contacts+distances)
- =>Structure repliée
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