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Homology modelling has matured into an important technique in structural biology, significantly contributing to narrowing the gap between known protein sequences and experimentally determined structures. Fully automated ...

Abstract The introduction of AlphaFold 2 1 has spurred a revolution in modelling the structure of proteins and their interactions, enabling a huge range of applications in protein modelling and design 2–6 . Here we des...

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...

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...

From the Publisher: This is the first comprehensive treatment of feed-forward neural networks from the perspective of statistical pattern recognition. After introducing the basic concepts, the book examines techniques fo...

The central building block of convolutional neural networks (CNNs) is the convolution operator, which enables networks to construct informative features by fusing both spatial and channel-wise information within local re...

Convolutional neural networks are built upon the convolution operation, which extracts informative features by fusing spatial and channel-wise information together within local receptive fields. In order to boost the rep...

Materias / palabras clave: computational science, built environment, urban modelling, urban development; Geography. Anthropology. Recreation: Human ecology. Anthropogeography: Settlements: Cities. Urban geography

Materias / palabras clave: mathematical modelling, computation, operations research, numerical analysis, optimization; Science: Mathematics: Instruments and machines: Electronic computers. Computer science

Materias / palabras clave: computational biology, biological systems, biological modelling; Science: Biology (General)

Materias / palabras clave: neuroscience, computational modelling, artificial intelligence, machine learning, deep learning, connectionist computer science; Technology: Technology (General): Industrial engineering. Management engineering: Informati...

Materias / palabras clave: computational mechanics, numerical methods, engineering modelling, software development, computer-aided analysis, applied mathematics; Science: Mathematics: Instruments and machines: Electronic computers. Computer scienc...

Materias / palabras clave: natural language processing, formal linguistics, computational linguistics, theoretical linguistics, language modelling; Language and Literature: Philology. Linguistics

Materias / palabras clave: interdisciplinary applications of mathematics and computation, data mining, applied mathematics, mathematical modelling, numerical analysis; Technology: Technology (General): Industrial engineering. Management engineerin...

Materias / palabras clave: physics, chemistry, biology, engineering, materials science, computation & modelling; Science

Materias / palabras clave: computational biology, botany, plant science, plant modelling; Agriculture: Plant culture; Science: Botany

Materias / palabras clave: separation methods, novel analysis approaches, chromatographic separations, computational modelling of separations, sample preparation; Science: Physics; Science: Chemistry

Materias / palabras clave: mathematics, physics, mathematical modelling, information and computation technologies; Science