Identification of an Allosteric binding Site in MetAP-II using Adaptive Bandit Molecular Dynamics Simulations and Markov State Models
Rubina; Syed Tarique Moin; Haider, Shozeb;
Identification of an Allosteric binding Site in MetAP-II using Adaptive Bandit Molecular Dynamics Simulations and Markov State Models
These are the trajectories and PDB files for APO and Ligand-bound MetAP-II along with the metastable states of APO, Ligand-bound, and combined trajectories for both systems in PDB format.
- University of Karachi Pakistan
- University College London United Kingdom
- International Center for Chemical and Biological Sciences Pakistan