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Recent Posts
- A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (1934-2019)
- The First 150 Years of the Periodic Table of the Elements
- Retro programming nostalgia III: the MSX Microcomputer and the Orbit of the Planets in the Solar System
- Numerical Integration of Differential Equations. Part I.: Katherine Goble and the Euler’s Method.
- The Calculation of the Lattice Energy: The Born-Haber Cycle
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Recent Posts
- A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (1934-2019)
- The First 150 Years of the Periodic Table of the Elements
- Retro programming nostalgia III: the MSX Microcomputer and the Orbit of the Planets in the Solar System
- Numerical Integration of Differential Equations. Part I.: Katherine Goble and the Euler’s Method.
- The Calculation of the Lattice Energy: The Born-Haber Cycle
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December 2019 M T W T F S S « Oct 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 Top Posts & Pages
- The calculation of the Madelung constant
- Il calcolo della entalpia reticolare: il ciclo di Born-Haber
- Il calcolo della costante di Madelung
- La Dinamica Molecolare: il Campo di Forze
- About
- Physical Chemistry: The Simple Hückel Method
- The Calculation of the Lattice Energy: The Born-Haber Cycle
- Bioinformatics Tools for Protein Engineering: The MAP server
- The Taylor Series
- L'Energia Reticolare
Category Archives: Research
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
Posted in Research, What is new
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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.
Posted in Research, Science Topics
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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
Posted in Databases, Programming, Research, Science Topics
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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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Il calcolo delle cariche parziali atomiche
Le cariche parziali da usare nel campo di forze si ottengono generalmente da calcoli quantomeccanici. Nel caso di molecole rigide, il calcolo delle cariche è abbastanza semplice. Nel caso di molecole flessibili, occorre valutare quanto le diverse conformazioni influenzano la … Continue reading
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La Dinamica Molecolare: il Campo di Forze
Then from these forces, by other propositions which are also mathematical, I deduce the motions of the planets, the comets, the moon, and the sea. I wish we could derive the rest of the phenomena of Nature by the same … Continue reading
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