Enflurane Additive for Sodium Negative Electrodes

Akkisetty, Bhaskar; Dimogiannis, Konstantinos; Searle, Joanne; Rogers, David; Newton, Graham N.; Johnson, Lee R.

doi:10.1021/acsami.2c06502

All Outputs (3)

Electronic circular dichroism of proteins computed using a diabatisation scheme (2022)
Journal Article

Circular dichroism (CD) spectroscopy is a powerful technique employed to study the structure of biomolecules. More accurate calculation of CD from first principles will aid both computational and experimental studies of protein structure and dynamics... Read More about Electronic circular dichroism of proteins computed using a diabatisation scheme.

Free energy perturbation calculations of tetrahydroquinolines complexed to the first bromodomain of BRD4 (2022)
Journal Article

Alchemical free energy perturbation (FEP) theory is widely used nowadays to calculate protein–ligand binding energies, often in support of drug discovery endeavours. We assess the accuracy and sensitivity of absolute FEP binding energies with respect... Read More about Free energy perturbation calculations of tetrahydroquinolines complexed to the first bromodomain of BRD4.

Enflurane Additive for Sodium Negative Electrodes (2022)
Journal Article

Development of sodium anodes, both hard carbon (HC) and metallic, is dependent on the discovery of electrolyte formations and additives able to stabilize the interphase and support Na+ transport. Halogen salt additives are known to lower the energy b... Read More about Enflurane Additive for Sodium Negative Electrodes.