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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 ...

Materias / palabras clave: Cancer; Biology; Computational biology; Cancer research; Bioinformatics; Genetics

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...

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...

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...

Materias / palabras clave: psychiatric function, psychiatry dysfunction, cognition, mental dysfunction, computational modelling; Medicine: Medicine (General): Computer applications to medicine. Medical informatics; Medicine: Internal medicine: Neu...

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

Materias / palabras clave: neural networks, computational neuroscience, decision making, neurons, brain modelling; Medicine: Internal medicine: Neurosciences. Biological psychiatry. Neuropsychiatry

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: computational mechanics, applied mathematics, mathematical modelling, mechanical engineering; Technology: Technology (General): Industrial engineering. Management engineering: Applied mathematics. Quantitative methods

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

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

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: circadian and sleep physiology, sleep habits and health, sleep–wake behavior and the 24-h society/life-style, computational modelling in the sleep and circadian fields; Medicine

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

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