Published March 4, 2026 | Version v1
Dataset Open

Dataset for "What makes buprenorphine different from morphine?"

Authors/Creators

Description

This dataset contains the prepared systems and the input parameters necessary to guarantee of the molecular dynamics (MD) simulations and thermodynamic integration (TI) simulations of "What makes buprenorphine different from morphine?"

Files

MDs.zip

Files (1.5 GB)

Name Size Download all
md5:95b140fe8aefd31bbc63540f3907fc96
584.6 MB Preview Download
md5:92e1e6164f16a1b7a3a53efbedfa6009
2.1 kB Download
md5:7f9951d92f2292674da8a6426191e49d
900.9 MB Preview Download