Table 2 The correlation between the RMSF of proteins obtained from MD simulation with ligands, without ligands, and RMSF-net

From: Accurate Prediction of Protein Structural Flexibility by Deep Learning Integrating Intricate Atomic Structures and Cryo-EM Density Information

Data

MD sim. without ligands v.s. MD sim. with ligands

MD sim. without ligands v.s. RMSF-net prediction

MD sim. with ligands v.s. RMSF-net prediction

6CM9

0.748

0.724

0.757

6P07

0.859

0.863

0.859

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