The integration of early ADMET (absorption, distribution, metabolism, excretion and toxicity)
profiling, or simply prediction, of'lead'molecules to speed-up the'lead'selection further for …

In general perturbation methods starts with a known exact solution of a problem and add
“small” variation terms in order to approach to a solution for a related problem without known …

Cancer is a fatal disease, responsible for one-quarter of all deaths in developed countries.
Traditional anticancer therapies such as, chemotherapy and radiation, are highly expensive …

Predicting protein subcellular localization is an important and difficult problem, particularly
when query proteins may have the multiplex character, ie, simultaneously exist at, or move …

Abstract Knowledge of subcellular locations of proteins is crucially important for in-depth
understanding their functions in a cell. With the explosive growth of protein sequences …

In this work, we developed a general perturbation theory and machine learning method for
data mining of proteomes to discover new B-cell epitopes useful for vaccine design. The …

Determining the target proteins of new anticancer compounds is a very important task in
Medicinal Chemistry. In this sense, chemists carry out preclinical assays with a high number …

Many drugs with very different affinity to a large number of receptors are described. Thus, in
this work, we selected drug− target pairs (DTPs/nDTPs) of drugs with high affinity/nonaffinity …

Here we report a web server, the DelPhi web server, which utilizes DelPhi program to
calculate electrostatic energies and the corresponding electrostatic potential and ionic …

Predicting drug–protein interactions (DPIs) for target proteins involved in dopamine
pathways is a very important goal in medicinal chemistry. We can tackle this problem using …