7

Protein dynamics occur in multiple different time scales. I myself is a person using MD simulation for my research. One reason I am not so much interested in ANTON is not it's cost, limited resource etc. It's rather because one extremely long simulation wouldn't help much at least for my research. Protein's thermodynamics as well as kinetics all depend on ...


3

The polarizability of molecules determines how a molecule interacts with other molecules (intermolecular interactions and chemical reactions), how it interacts with electromagnetic radiation (optical properties), and how it interacts with electrical fields (electrical properties). Thus, there are multiple ways to compare the polarizability of two molecules ...


2

It does seem that placing the hydroxyl group at the terminal carbon maximises the hydrogen bonding interactions between alcohol molecules and also the van der Waal forces between them. This is best illustrated with a crude diagram I have made: Finer differences due to the position of the hydroxyl group along the chain, such as the differences between the 2- ...


Only top voted, non community-wiki answers of a minimum length are eligible