Andrea Bazzoli

TL;DR: A striking consistency between the target structure and the structural prediction from nonhomologous sequences, despite the fact that the design and folding algorithms adopt completely different force fields, indicates that thedesign algorithm captures the features essential to the global fold of the target.

TL;DR: A memetic algorithm with self-adaptive local search, applied to protein structure prediction in an HP, cubic-lattice model, and experimental results that justify important implementation choices, such as the introduction of speciation mechanisms and the extensive application of local search are reported.

TL;DR: This work tests the performance of the Rosetta energy function for identifying compounds that inhibit protein interactions, when these active compounds have been hidden amongst pools of “decoys,” and develops and validates a new weight set that maximizes Rosetta’s ability to pick out the active compounds in this test set.

TL;DR: In this paper , the authors found that positive perceptions of the workplace COVID-19 safety climate would be associated with lower employee COVID19 related moral disengagement, and that higher moral disengagement would lead to lower enactment of preventive behaviors both at work and in non-work settings.

TL;DR: The results demonstrate that the inhibitory activity of quinazoline derivatives is strongly correlated with their polarizability, activation energy, mass distribution, connectivity, and branching information and provides a general avenue in the structure-based drug development of different protein receptor inhibitors.