This dataset presents novel in-silico evidence of a stable interaction between Adenosine Triphosphate (ATP) and the secreted Phospholipase A₂ (sPLA₂) toxin from the Bangladeshi Russell's Viper (Daboia
Superscripts indicate the temperature at which the crystal X-ray data was collected.Subscripts indicate the component of the crystallographic asymmetric unit as given in the PDB file.Blank boxes indic
One of AbEMap's applications is to map epitope on a given antigen crystal structure if only the sequence of the antibody is entered by the user. The results in this dataset are pdb files of the 40 ant
This file includes the input data necessary to follow the tutorial for TransportTools standard workflow. - two trajectories and topologies of MD simulations - templates for CAVER and AQUA-DUCT ana
