Published February 14, 2024 | Version v1
Dataset Open

Randomized Alanine Sequence Scanning in AlphaFold2 and Local Frustration Mapping of Conformational States Enable Interpretable Atomistic Characterization and Analysis of Predicted Structural Ensembles and Detection of Hidden Allosteric States of the ABL1 Protein Kinase

Authors/Creators

  • 1. Keck Center for Science and Engineering, Graduate Program in Computational and Data Sciences, Schmid College of Science and Technology, Chapman University, Orange, CA 92866, United States of America
  • 2. Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, Texas, 75275, United States of America
  • 3. Department of Biomedical and Pharmaceutical Sciences, Chapman University School of Pharmacy, Irvine, CA 92618, United States of America

Files

DataUpload.zip

Files (43.9 MB)

Name Size Download all
md5:19c72666fc5bf05c383420e2f17c9218
43.9 MB Preview Download