Maria J. Ramos

TL;DR: This review provides a brief outline of the density functional theory and of the historic development of the field, focusing later on the several types of density functionals currently available, and finishing with a detailed analysis of the performance of DFT across a wide range of chemical properties and system types.

TL;DR: In this review the key concepts of protein–ligand docking methods are outlined, with major emphasis being given to the general strengths and weaknesses that presently characterize this methodology.

TL;DR: The scope of this review is to summarize all the available information regarding hot spots for a better atomic understanding of their structure and function, to improve the rational design of complexes of high affinity and specificity as well as that of small molecules, which can mimic the functional epitopes of the proteic complexes.

TL;DR: While infection with the nvH1N1 induces a typical innate response in both mild and severe patients, severe disease with respiratory involvement is characterized by early secretion of Th17 and Th1 cytokines usually associated with cell mediated immunity but also commonly linked to the pathogenesis of autoimmune/inflammatory diseases.

TL;DR: This study provides insight into the adaptive evolution of the mtDNA genome in mammals and its implications for the molecular mechanism of oxidative phosphorylation, and presents a framework for future experimental characterization of the impact of specific mutations in the function, physiology, and interactions of themtDNA encoded proteins involved in oxidativeosphorylation.