Published February 17, 2026 | Version v1
Dataset Open

Interaction energies of Direct Factor Xa Inhibitors calculated by MD-FMO method

Description

The xz-compressed archive contains PDB, log, and ajf files. 

The CSV file provides details of the inter-residue interactions between each ligand and the protein.

Files

Files (6.9 GB)

Name Size Download all
md5:88da56cfea19367d8340eaa4f1a8bab1
1.2 GB Download
md5:0c6443556633c29454112ef8e973c14f
1.1 GB Download
md5:28aaf48e4cdff9a0c05631714e615cc5
1.1 GB Download
md5:a20d05345db51d5485e0183822943a2f
1.3 GB Download
md5:7f73a81b332ddb5b9aa39d4b800efe99
897.7 MB Download
md5:8f3630901474db87b82d4f1117f48905
1.2 GB Download
md5:2ede5872ee5cba277ca878d12146cbf9
67.8 MB Download

Additional details

Related works

Is supplemented by
Dataset: 10.26434/chemrxiv.10001773/v1 (DOI)

Dates

Updated
2026-02-18