COMPUTER-AIDED LEAD OPTIMIZATION: IMPROVED SMALL-MOLECULE INHIBITOR OF THE ZINC ENDOPEPTIDASE OF BOTULINUM NEUROTOXIN SEROTYPE A.

Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A.

Optimization of a serotype-selective, small-molecule inhibitor of botulinum neurotoxin serotype A (BoNTA) endopeptidase is a formidable challenge because the enzyme-substrate interface is unusually large and the endopeptidase itself is a large, zinc-binding protein with a complex fold that is difficult to simulate computationally.We conducted multi

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Available transmission capacity assessment

Effective power system operation requires the analysis of vast amounts of information.Power market activities expose power transmission networks to high-level power transactions that threaten normal, secure operation of the power system.When there are service requests for a specific sink/source pair in a transmission system, the transmission system

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La flotta fluviale e lacustre del ducato di Milano nel XV secolo

In the XV century the Duchy of Milan was engaged in long Wall Decal and bloody conflicts, especially against Venice, which threatened Milan itself.Besides the armies of the condottieri, there was another important component for the military of the Duchy: the river and lake fleet, which counted dozens of ships, from light to heavy ones, like galleon

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