4 datasets found

This data consist in the models, topology files, parameters files and trajectories of molecular dynamics simulations of the catalytic domain of human HDAC9 and small molecule...

This data represent the structural coordinates, in mol2 file format, of the HDAC models and of the phorbazole compounds used to generate the docking results presented in the...

In biochemical systems, enzymes catalyze the endergonic phosphorylation of adenosine diphos-phate (ADP) to adenosine triphosphate (ATP) by different pathways, e.g., oxidative...

Extremophiles maintain an active metabolism up to 122 °C (Takai et al. 2008). These extreme conditions are found, for example in hot springs, in deep oceanic and crustal...