An Effective Approach for Clustering InhA Molecular Dynamics Trajectory Using Substrate-Binding Cavity Features

Eitemau Tebyg

• A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model
  gan: De Paris, Renata, et al.
  Cyhoeddwyd: (2018)
• Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments
  gan: De Paris, Renata, et al.
  Cyhoeddwyd: (2015)
• Effect of the explicit flexibility of the InhA enzyme from Mycobacterium tuberculosis in molecular docking simulations
  gan: Cohen, Elisangela ML, et al.
  Cyhoeddwyd: (2011)
• Molecular Dynamics Simulation Studies of the Wild-Type, I21V, and I16T Mutants of Isoniazid-Resistant Mycobacterium tuberculosis Enoyl Reductase (InhA) in Complex with NADH: Toward the Understanding of NADH-InhA Different Affinities
  gan: Schroeder, Evelyn Koeche, et al.
  Cyhoeddwyd: (2005)
• Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction
  gan: Štular, Tanja, et al.
  Cyhoeddwyd: (2016)