There is a delicate balance in the proteins between the flexibility needed for the enzymatic activity and the rigidity needed for preserving the stable structure [20]. Interestingly, this balance is shifted in the case of thermotropic or barotropic enzymes to preserve the optimal flexibility in the...
This is a difficult task from an experimental chemistry point of view, due to the sheer number of possible combinations between structures and resultant reactivity and/or activity. Theoretical prediction is the most useful tool to address this conundrum, as prediction can extend over the entire ...