Category Archives: Science Topics

Calculus in a Nutshell: the Definite Integral of a Monovariate Function

The definite integral is the key tool in calculus for defining and calculating quantities important to mathematics and science, such as areas, volumes, lengths of curved paths, probabilities, and the weights of various objects, just to mention a few. The … Continue reading

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Berechnung der Konstante von Madelung

Die gesamte Coulomb-Potentialenergie eines Kristalls ist die Summe der einzelnen Terme der elektrostatischen Potentialenergie zum Laden von Ionen   e und  getrennt nach Entfernung . Die Summe erstreckt sich auf alle im Festkörper vorhandenen Ionenpaare für alle kristallinen Strukturen. Die … Continue reading

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Note di Meccanica Classica

In questo blog vengono derivate alcune equazioni fondamentali della meccanica classica che sono anche alla base del metodo della simulazione di Dinamica Molecolare.

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Modeling Natural Pattens and Forms I: Sunflowers Florets and the Golden Ratio

Il girasole piega a occidente e già precipita il giorno nel suo occhio in rovina …  from the poem  “Quasi un madrigale” by Salvatore Quasimodo.

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Physical Chemistry: The Simple Hückel Method

The Hückel molecular orbital method is a quantum mechanics approach for calculating the energies of molecular orbitals of π electrons in conjugated hydrocarbon systems, such as ethylene, benzene, and butadiene.

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Awk Programming III: the One-Dimensional Cellular Automaton

Cellular automata (CA) is a vast and interesting topic of computer science and mathematics with important applications in many areas of science.

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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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The Arginine Deiminase​: an Anticancer Protein

Arginine deiminase (ADI, EC 3.5.3.6) is an arginine-metabolizing hydrolase that catalyzes the hydrolysis of the amino acid L-arginine to form citrulline and ammonia.

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