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Published 2025 | Version v1
Dataset Open

Datasets for "A Practical Guide to Transition State Analysis in Biomolecular Simulations with TS-DAR"

  • 1. University of Wisconsin−Madison

Description

3 Datasets for "A Practical Guide to Transition State Analysis in Biomolecular Simulations with TS-DAR": (a). Alanine Dipeptide, (b). Villian headpiece H35 peptide, (c). PP2A.  All these datasets contain the featurized MD conformations, rather than the original x,y,z coordinates. 

Files

Alanine_dipeptide.zip

Files (6.7 GB)

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md5:53002b3d76d9c97d7d6060a2c41d091a
83.5 MB Preview Download
md5:9dc1ca5e6a3c20e6fa9181d1a5c2e8ee
5.7 GB Preview Download
md5:6304973b310fd9738c8cbc3d2c775be9
867.4 MB Preview Download