The methods involve several severe approximations, for example, a questionable entropy, lacking the conformational contribution and missing effects from binding-site water molecules.
Today's scoring functions are one of the main reasons that state-of-the-art protein-ligand dockings fail in about 20%to40%40 % of the targets due to the sometimes severe approximations they make.
Its high speed necessitates the use of severe approximations such as (i) restriction of the search space to the surroundings of the binding site, (ii) no or inadequate explicit hydration of the ligand-target interface, (iii) partial or complete neglect of target flexibility [2 5] during ligand binding, (iv) and non-deterministic search algorithms [1, 6] based on random number generation.
Macroscopic transport of light in scattering materials, such as tissue, can be described by the Radiative Transport Equation (RTE), which has proven difficult to solve analytically without introducing severe approximations and simplifications.
Undoubtedly, the method involves severe thermodynamic approximations [11,22,54], for example, ignoring structural changes in the receptor and ligand upon binding and conformational entropy, and lacking information about the number and entropy of water molecules in the binding site before and after ligand binding.
In particular, problems for which the damping is local in time pose more severe problems for approximation.
35 We used a prescription of antipsychotics, between MI and 180 days before, as an approximation of severe mental disorder.
This requires several further approximations.
Singular terms in differential equations pose severe challenges for numerical approximations on regular grids.
The Eddington theory, though a good approximation, encountered some severe difficulties that have been met through modifications.
On the other hand, when the circular convolution approximation problem become severe in high reverberation, the contribution of preprocessing becomes crucial and hence the separation performance is improved significantly. Figure 12 Average relative performance improvement of the combined method over the BSS-only method in different reverberant environments.
