Background: To further understand the implementation of hyperparameters re-estimation technique in Bayesian hierarchical model, we added two more prior assumptions over the weight...
Background: A fundamental problem when trying to define the functional relationships between proteins is the difficulty in quantifying functional similarities, even when well-stru...
Angela del Pozo, Florencio Pazos, Alfonso Valencia
We describe the integration of a structuredtext retrieval system (TextMachine) into an object-oriented database system (OpenODB). We use the external function capability of the da...
Background: Current scoring functions are not very successful in protein-ligand binding affinity prediction albeit their popularity in structure-based drug designs. Here, we propo...
We present wannier90, a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with othe...
Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee,...