Instruct-ERIC
Published May 3, 2019 | Version v1
Dataset Open

Dataset to reproduce MD simulations described in "An atomistic view of the YiiP structural changes upon zinc(II) binding"

Authors/Creators

  • 1. University of Florence
  • 2. CIRMMP

Description

Here are collected topologies, parameters, distance restraints, starting coordinates and trajectories for all the simulations reported in the manuscript entitled "An atomistic view of the YiiP structural changes upon zinc(II) binding" 

Notes

us = umbrella simulation

Files

Files (32.8 GB)

Name Size
md5:0a64e2bbb9828c224b416ff8780a64a4
3.8 GB Download
md5:7b9942ad496e089fa7ae4af09713dfd5
3.8 GB Download
md5:e13dc08998169568b3b9a6253f2f21c9
3.8 GB Download
md5:5f0319641874bc1c35046a4c5084d799
15.2 GB Download
md5:dc99f65fcc04de9e26c2c590ffe5b8ef
2.1 GB Download
md5:e706d6c18ad7dc50576b8d958224f063
1.6 GB Download
md5:e0c718bf4e0b0ae9fcc3fb743bb95055
1.3 GB Download
md5:2674d4b0587745bfd92735f3d02ebc59
1.3 GB Download

Additional details

Funding

European Commission
EOSC-hub - Integrating and managing services for the European Open Science Cloud 777536