"We used a transparent and accessible calculation, publicly available data, and, where we made assumptions, we explained their basis.
Unfortunately, 3D energy spectra and fluxes are not easily accessible in calculations in complex domains and/or with inhomogeneous turbulence.
Notably, despite this large tilt, solvent-accessible surface calculations show that in the static structure the proton uptake pathway remains functionally closed.
Accessible Surface Area calculations for the Erg8, Erg9 and HFA1 proteins and respective energies calculated by the InterProPatch server (Supporting Information S2) also strengthen the protein stability predictions obtained from Eris.
Solvent accessible surface area calculations suggested that active site of PTP 1B is highly hydrophobic.
Diffusion events over large barriers are statistically rare events on the timescale accessible through AIMD calculations, preventing a direct assessment of the diffusion barrier.
First, the potential score of a residue is defined by using a knowledge-based potential function with relative accessible surface area calculations.
Feynman is revered not because he was a great mathematical calculator though he was exceptionally good but because he found a new way to look at the problems of QED, that made the calculations accessible to people who weren't brilliant.
An alternate approach to identifying solvent exposed and buried residues starting solely from Cα positions is to generate all atom models from Cα trace and employ the traditional solvent accessible surface area calculations on the dataset of coordinates of all the atoms in the proteins.
Furthermore, in our study in one third of the radiographs in which the RASSS could be calculated, only one to two thoracic VCs were accessible, meaning that calculation of the RASSS was based on imputed and therefore non-informative VCs in the lumbar spine.
