104 citations · 113 across the 2 of their papers we have counts for
2 papers
physics.bio-ph2019★ 104 cited
Polarisable force fields: What do they add in biomolecular simulations?
V. S. Sandeep Inakollu, Daan P. Geerke, Christopher N. Rowley +1
The quality of biomolecular simulations critically depends on the accuracy of the force field used to calculate the potential energy of the molecular configurations. Currently, mos…
physics.chem-ph2016★ 9 cited
The Hydration Structure of Carbon Monoxide by Ab Initio Methods
Ernest Awoonor-Williams, Christopher N. Rowley
The solvation of carbon monoxide (CO) in liquid water is important for understanding its toxicological effects and biochemical roles. In this paper, we use ab initio molecular dyna…