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Recent Posts
- Seminar Series: Molecular Dynamics Simulation of Biomolecules (Bremen 2004)
- Modelling Forms in Nature: Easter Chocolate Eggs 2021
- Retro programming nostalgia V: L’Equilibrio e la Titolazione Acido/Base (Parte II)
- Physical Chemistry: The Simple Hückel Method (Part III)
- Physical Chemistry: The Simple Hückel Method (Part II)
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Recent Posts
- Seminar Series: Molecular Dynamics Simulation of Biomolecules (Bremen 2004)
- Modelling Forms in Nature: Easter Chocolate Eggs 2021
- Retro programming nostalgia V: L’Equilibrio e la Titolazione Acido/Base (Parte II)
- Physical Chemistry: The Simple Hückel Method (Part III)
- Physical Chemistry: The Simple Hückel Method (Part II)
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June 2021 M T W T F S S 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 Top Posts & Pages
- Il calcolo della entalpia reticolare: il ciclo di Born-Haber
- The calculation of the Madelung constant
- Physical Chemistry: The Simple Hückel Method (Part I)
- Il calcolo della costante di Madelung
- Berechnung der Konstante von Madelung
- Numerical Integration of Differential Equations. Part I.: Katherine Goble and the Euler's Method.
- La simulazione di Dinamica Molecolare
- Il calcolo delle cariche parziali atomiche
- The Logistic Map and the Feigenbaum Constants: a Retro Programming Inspired Excursion
- Retro Programming Nostalgia: Commodore Amiga and Molecular Visualization
Category Archives: Research
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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The Lignin Peroxidase
Lignin Peroxidase (LiP), a hemoprotein isolated from the ligninolytic cultures of the white-rot fungus Phenerochaete Chrysosporium is one of the most important lignin-degrading enzymes. We have investigated the dynamical and structural properties of lignin peroxidase and its Trp171Ala mutant in aqueous … Continue reading
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Molecular Machines within us: The human neutrophil collagenase MMP8
Human neutrophil collagenase (HNC, MMP8) is one of the target enzymes for drug treatment of pathologic extracellular matrix degradation. Peptidomimetic inhibitors bind in the S-side of the enzyme active site occupying the S1 primary specificity pocket by their large hydrophobic … Continue reading
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Molecular Machines within us: The Carbon Monoxide Migration in Sperm Whale Myoglobin
Myoglobin is a small ancient protein of ~150 amino acids specialized in the transport of respiratory gases to muscular tissues and back to the lungs of the superior organisms. Even though, it was one of the first protein having the three-dimensional … Continue reading
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Molecular Machines within us: The Nucleosome core particle
The nucleosome core particle (NCP) constitutes the basic structural unit of the eukaryotic chromatin. It consists of 147 base-pairs (bp) of DNA wrapped in a left-handed superhelix 1.65 times around a histone octamer. The octamer is formed by two copies … Continue reading
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The β-lactamases TEM-1
β-lactamases are enzymes produced by bacteria (also known as penicillinase) that provide multi-resistance to β-lactam antibiotics such as penicillins, cephamycins, and carbapenems.
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Molecular Machines within us: The Citrate Synthase I
The citrate synthase is a model enzyme for the study of the dynamics of domain motions. It is a key protein in the metabolic cycle of the cell (Krebs cycle) as it catalyzes the Claisen condensation of acetyl-coenzyme A with … Continue reading
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Molecular Machines within us: The Glutamate Synthase
Glutamate Synthases are key enzymes in the early stages of the assimilation of ammonia in bacteria, yeast, and plants. Azospirillum brasilense glutamate synthase (GltS) is a complex iron-sulfur flavoprotein that catalyzes the reductive transfer of L-glutamine amide group to the (C2) … Continue reading
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