This are the trajectory files from the MD simulation for HER2 with neratinib bound. After 1 us of MD simulation for three times, for each of the mutant markov modeling was applied and the most probabl
In continuation of our earlier work (Doi: 10.1080/07391102.2019.1661876), a statistically validated and robust Bayesian model was developed on a large diverse set of HDAC8 inhibitors. The training set