Category Archives: Research

Seminar Series: Molecular Dynamics Simulation of Biomolecules (Bremen 2004)

In this new series of post, I will report the slides of some of the seminar/lessons that I have delivered in the past years. Some of the information are updated but still there are a wealth of useful information. In … Continue reading

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A Practical Introduction to the C Language for Computational Chemistry. Part 3

Sphere. From Space, from Space, Sir: whence else? Square. Pardon me, my Lord, but is not your Lordship already in Space, your Lordship and his humble servant, even at this moment? Sphere. Pooh! what do you know of Space? Define Space. Square. Space, my … Continue reading

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Molekulare Maschinen: Die Coronavirus SARS-CoV-2 Bedrohung, Teil I.

Was Freunde mit und für uns tun, ist auch ein Erlebtes; denn es stärkt und fördert unsere Persönlichkeit. Was Feinde gegen uns unternehmen, erleben wir nicht, wir erfahren’s nur, lehnen’s ab und schützen uns dagegen wie gegen Frost, Sturm, Regen … Continue reading

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Le Macchine Molecolari: La minaccia del Coronavirus SARS-CoV-2. Parte I

Difficilmente è vinto colui che sa conoscere le forze sue e quelle del nemico. Nicollò Machiavelli in Dell’arte della guerra (1519-1520) Un virus è la vita nella forma più semplice. È la riduzione minimalista di un organismo ai suoi elementi … Continue reading

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Molecular Machines: the Coronavirus SARS-CoV-2 Menace. Part I

“If you know the enemy and know yourself, you need not fear the result of a hundred battles. If you know yourself but not the enemy, for every victory gained you will also suffer a defeat. If you know neither … Continue reading

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A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (1934-2019)

On the 7 October 2019, Prof Dr Herman Johan Christiaan Berendsen passed away just shortly after his 85 birthday. Prof Berendsen is considered the founder of the molecular dynamics simulation of biological system: the area of theoretical research that also … Continue reading

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The Almighty​ Curcumin

Curcumin is a polyphenol derived from the root of turmeric (Curcuma longa) that it is widely used as a dietary spice and natural food colouring agent throughout the world.

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Modular Assembly of Proteins on Nanoparticles

I have recently contributed to a proof of concept study published in the prestigious Nature Communication (doi:10.1038/s41467-018-03931-4) [1]. The study involved collaborations with experimental groups across the University of Lincoln (UoL), University of Molise (Italy) and the Royal Holloway University … Continue reading

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The Protein Engineering of a controllable Nano-Gate: the FhuA D1– 160 channel

The confinement of primeval biochemical compounds by nano compartmentalization made possible the spatial and temporal control and the development possible the most complex chemical process: the life.

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Bioinformatics Tools for Protein Engineering​: The MAP server

Mutagenesis Assistant Program (MAP) is a free accessible statistical tool which can be used for the benchmarking of random mutagenesis methods on the protein level. The server is currently hosted at the RTWH Aachen but it can still be accessed … Continue reading

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