We have studied the binding of 102 ligands to the farnesoid X receptor within the D3R Grand Challenge 2016 blind-prediction competition. First, we employed docking with five different docking software and scoring functions. The selected docked poses gave an average root-mean-squared deviation of 4.2 Å. Consensus scoring gave decent results with a Kendall's τ of 0.26 ± 0.06 and a Spearman's ρ of...

Integrating single nucleotide polymorphism (SNP) p-values from genome-wide association studies (GWAS) across genes and pathways is a strategy to improve statistical power and gain biological insight. Here, we present Pascal (Pathway scoring algorithm), a powerful tool for computing gene and pathway scores from SNP-phenotype association summary statistics. For gene score computation, we implemen...

A well-known theorem of Frame, Robinson, and, Thrall states that if h is a partition of n, then the number of Standard Young Tableaux of shape h is n! divided by the product of the hook-lengths. We give a new combinatorial proof of this formula by exhibiting a bijection between the set of unsorted Young Tableaux of shape A, and the set of pairs (T, S), where T is a Standard Young Tableau of sha...

A powerful extension of the tableau method is described. It consists in a new simpliication rule allowing to prune the search space and a new way of extracting a model from a given (possibly innnite) branch. These features are combined with a former method for simultaneous search for refutations and models. The possibilities of the new method w.r.t. the original one are clearly stated. In parti...

The structure of analytic signals is investigated by means of the relation between analytic signals and functions in the Hardy space. It is shown that an analytic signal is made up of two parts, one depends on the amplitude of the signal and another on the boundary value of an inner function. Based on this result, properties of the instantaneous frequencies of these two parts are studied, and i...