The Clock Drawing Test (CDT) is a simple neuropsychological screening instrument that is well accepted by patients and has solid psychometric properties. Several different CDT scoring methods have been developed, but no consensus has been reached regarding which scoring method is the most accurate. This article reviews the literature on these scoring systems and the changes they have undergone ...

We describe the development of a scoring function based on the decomposition P(structure/sequence) proportional to P(sequence/structure) *P(structure), which outperforms previous scoring functions in correctly identifying native-like protein structures in large ensembles of compact decoys. The first term captures sequence-dependent features of protein structures, such as the burial of hydrophob...

One of the general paradigms for ab initio protein structure prediction involves sampling the conformational space such that a large set of decoy (candidate) structures are generated and then selecting native-like conformations from those decoys using various scoring functions. In this study, based on a physical/geometric approach first suggested by Banavar and colleagues, we formulate a knowle...

Assessment tools are needed to evaluate agronomic management effects on critical soil functions such as carbon sequestration, nutrient cycling and water partitioning. These tools need to be flexible in terms of selection of soil functions to be assessed and indicators to be measured to ensure that assessments are appropriate for the management goals. The soil management assessment framework (SM...

New empirical scoring functions have been developed to estimate the binding affinity of a given protein-ligand complex with known three-dimensional structure. These scoring functions include terms accounting for van der Waals interaction, hydrogen bonding, deformation penalty, and hydrophobic effect. A special feature is that three different algorithms have been implemented to calculate the hyd...

Virtual screening is becoming an important tool for drug discovery. However, the application of virtual screening has been limited by the lack of accurate scoring functions. Here, we present a novel scoring function, MedusaScore, for evaluating protein-ligand binding. MedusaScore is based on models of physical interactions that include van der Waals, solvation, and hydrogen bonding energies. To...

Traditionally, skyline and ranking queries have been treated separately as alternative ways of discovering interesting data in potentially large datasets. While ranking queries adopt a specific scoring function to rank tuples, skyline queries return the set of non-dominated tuples and are independent of attribute scales and scoring functions. Ranking queries are thus less general, but usually c...

Accurate scoring of protein-ligand interactions for docking, binding-affinity prediction and virtual screening campaigns is still challenging. Despite great efforts, the performance of existing scoring functions strongly depends on the target structure under investigation. Recent developments in the direction of target-classspecific scoring methods and machine-learning-based procedures reveal s...