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Protein therapeutics represent a powerful class of clinically approved drugs for the prevention and treatment of various diseases. Once administered, the biological fate of protein therapeutics is governed by the body's various complex biochemical and biop ...
Protein design is important to develop new drugs. As such, a knowledge of the correct model to use to design novel proteins is of the utmost importance. Here we show that a simple model where the solvent degrees of freedom are (semi)explicitly taken into a ...
Duocarmycins are a potent class of antitumor agents. Their activity arises by their covalent binding to adenine nucleobases of DNA. We use classical mol. dynamics and hybrid (QM/MM) Car-Parrinello mol. dynamics simulations to study non-covalent and covalen ...
Personalized therapy requires accurate and frequent monitoring of drugs metabolic response in living organisms during drug treatments. In case of high risk side effects, e.g. therapies with interfering anti-cancer molecules cocktails, direct monitoring of ...
Porous coating for the controlled release of drugs, said coating comprising a porous structure with pores adapted to act as reservoirs or as passages for a drug, in such a way that said drug can move from the external environment to/from or through said po ...
The aim of the study is to evaluate the differences of protein binding of NAMI-A, a new ruthenium drug endowed with selective antimetastatic properties, and of cisplatin and to ascertain the possibility to use two drugs based on heavy metals in combination ...
Nowadays, there are still several unmet medical needs in the field of orthopaedic and trauma surgery leading to the incentive of finding alternative and innovative clinical therapeutics for the treatment of bone regeneration. For example, the entrapment of ...
A new quaternary β-carboline alkaloid, nostocarboline (I), was isolated from the freshwater cyanobacterium Nostoc 78-12A, and its constitution was assigned by 2D-NMR methods. The structure was proven by its total synthesis starting from norharmane via chlo ...
The term 'microbial persistence' describes a phenomenon whereby microorganisms which are drug-susceptible when tested outside the body are nevertheless capable of surviving within the body despite intensive therapy with the appropriate antimicrobial drug. ...
Band offsets of 0.35-0.45 eV are produced at Ge homojunctions by placing a monolayer of As and an adjacent monolayer of Ga between the two Ge bulks. The "Ga-first" and "As-first" growth sequences exhibit band offsets of similar magnitude but opposite sign, ...
