Background: Drug discovery and chemical biology are exceedingly complex and demanding enterprises. In recent years there are been increasing awareness about the importance of pred...
The prediction of the native structures of proteins, the socalled protein folding problem, is a NP hard multi-minima optimization problem for which to date no routine solutions ex...
Abstract. We propose a non-standard neural network called TPNN which offers the direct mapping from a peptide sequence to a property of interest in order to model the quantitative ...
In this paper, we investigate the employment of evolutionary algorithms as a search mechanism in a decision support system for designing chemotherapy schedules. Chemotherapy invol...
—Constructing accurate computational models that explain how ions permeate through a biological ion channel is an important problem in biophysics and drug design. Brownian dynami...