FEP calculations have had a revolutionary effect on computational chemistry. In conjunction with molecular dynamics and Monte Carlo simulations, they have enabled the calculation of free energy ...

To the Editor: Reliable and fast computation of protein free energy is crucial for protein-structure analysis, structure-based protein design and protein docking. Rigorous treatments based on ...

Time to first decision (peer reviewed only): 38.5 days** Energy is an exciting, multidisciplinary research area, bringing together chemistry, physics, materials ...

Chemistry is a branch of science that involves ... offering a potentially sustainable approach to meet the growing demand for lithium in energy storage applications. Ammonia is traditionally ...