Dynamic Profiling and Binding Affinity Prediction of NBTI Antibacterials against DNA Gyrase Enzyme by Multidimensional Machine Learning and Molecular Dynamics Simulations

• Maja Kokot,
• Nikola Minovski

Affiliations

Maja Kokot

Laboratory for Cheminformatics, Theory Department, National Institute of Chemistry, Ljubljana, Slovenia

Nikola Minovski

Laboratory for Cheminformatics, Theory Department, National Institute of Chemistry, Ljubljana, Slovenia