In order to compute polarization energy of biomolecules, we describe a boundary element approach to solving the linearized Poisson–Boltzmann equation. Our approach combines sever...
Chandrajit L. Bajaj, Shun-Chuan Albert Chen, Alexa...
—Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretize...
Martin C. Herbordt, Md. Ashfaquzzaman Khan, Tony D...
Background: Testing for selection is becoming one of the most important steps in the analysis of multilocus population genetics data sets. Existing applications are difficult to u...
Tiago Antao, Ana Lopes, Ricardo J. Lopes, Albano B...
Docking is the process by which two or several molecules form a complex. Docking involves the geometry of the molecular surfaces, as well as chemical and energetical consideration...
Abstract. The process through which disordered components spontaneously arrange themselves into patterns is called self-assembly. Molecular self-assembly describes the process by w...