Workflow from Scientific Research

Open access visualization of Workflow, Protein Structure, 3D Plot, Molecular System, Amino Acid Sequence

#Workflow #Protein Structure #3D Plot #Molecular System #Amino Acid Sequence #Probability Distribution #Molecular Structures #Equilibrium Distribution #Metastable States #Intermediate States #Static Structure Prediction Methods #AlphaFold

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DOI: 10.1038/s42256-024-00837-3

DOI

DiG takes the basic descriptor {D} of a target molecular system as inputfor example, an amino acid sequenceto generate a probability distribution of structures that aims at approximating the equilibrium distribution and sampling different metastable or intermediate states. In contrast, static structure prediction methods, such as AlphaFold 1 , aim at predicting one single high-probability structure of a molecule.

DOI

10.1038/s42256-024-00837-3

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