The dauntingly complex functioning of human cells is often the outcome of several molecular processes. Understanding such processes is crucial for discovering modern drugs, defining interaction cascades, assessing the effects of mutations and changes in local concentrations of ligands, and so forth. It may require a variety of computational approaches drawn from systems biology, bioinformatics, and molecular simulations. Models (if properly validated against experimental data) may provide insights into the mechanistic details of biomolecular processes. Computational methods may allow to access features often difficult to be observed experimentally. Hence, there is a continuous need of improvements in algorithms and strategies to bolster the predictive power of computations. This issue will review procedures and applications aimed at the identification of current challenges. We invite authors to submit original research and review articles describing the combined use of computational methods applied to biomedical research. Potential topics include, but are not limited to:

• Hybrid or multiscale simulation methods applied to molecular medicine
• Coarse grain modeling of biomolecular systems
• Novel free energy approaches for pharmaceutical applications
• Structural predictions specially focused on human membrane proteins

Before submission authors should carefully read over the journal's Author Guidelines, which are located at http://www.hindawi.com/journals/jbb/guidelines/. Prospective authors should submit an electronic copy of their complete manuscript through the journal Manuscript Tracking System at http://mts.hindawi.com/ according to the following timetable: