MDBind 2vnf 2

Open

Pierre-yves Libouban;Pascal Bonnet;Samia Aci-Sèche;

MD-A007AY

Created: 16 Feb 2026
License: This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License (opens in a new tab)

Description

10 ns simulation of 2vnf pdb structure from MDBind dataset, a dynamic view of the PDBBind database

Starting structure: 2VNFPDB 2VNF(opens in a new tab)
Force field: Amber ff14SB, GAFFTIP3P
Engine: Amber 20
Method: Classical MD
Timestep: 2 fs
Frames: 500
Composition: Molecules of interest
ProteinProtein · 1 chain767 atoms50 residues
OtherOther52 atoms
Total821 atoms53 residues
Box dimensions: a5.128nm
b4.865nm
c5.517nm

Sequence 1Protein · 50 residues

EPTYCLCHQV SYGEMIGCDN PDCSIEWFHF ACVGLTTKPR GKWFCPRCSQ

20 files · 12.1 MB

All files12.1 MB

Research groups: Institute of Organic and Analytical chemistry, Orleans, FranceJanssen/Johnson & Johnson
Contact: For any questions please send a mail to plibouba@its.jnj.com