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Materias / palabras clave: Dihedral angle; Loop modeling; Probability density function; Smoothing; Protein structure; Protein superfamily; Protein structure prediction; Biological system; Algorithm; Mathematics; Chemistry; Hydrogen bond

Abstract This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chem...

In December, 2019, a local outbreak of pneumonia of initially unknown cause was detected in Wuhan (Hubei, China), and was quickly determined to be caused by a novel coronavirus,1WHOWHO statement regarding cluster of pneu...

The Open Visualization Tool (OVITO) is a new 3D visualization software designed for post-processing atomistic data obtained from molecular dynamics or Monte Carlo simulations. Unique analysis, editing and animations func...

Materias / palabras clave: chemical informatics, molecular modelling, data mining, chemical structure searching; Technology: Technology (General): Industrial engineering. Management engineering: Information technology; Science: Chemistry

Materias / palabras clave: complex biological networks, molecular biology, systems biology, cellular dynamics, biological modelling; Science: Biology (General)