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The simultaneous measurement of multiple modalities represents an exciting frontier for single-cell genomics and necessitates computational methods that can define cellular states based on multimodal data. Here, we intro...

The resolution of optimization problems is of great interest nowadays and has encouraged the development of various information technology methods to attempt solving them. There are several problems related to Software E...

The caret package, short for classification and regression training, contains numerous tools for developing predictive models using the rich set of models available in R. The package focuses on simplifying model training...

CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological inte...

Convolutional networks are at the core of most state of-the-art computer vision solutions for a wide variety of tasks. Since 2014 very deep convolutional networks started to become mainstream, yielding substantial gains ...

BACKGROUND: Gene set enrichment (GSE) analysis is a popular framework for condensing information from gene expression profiles into a pathway or signature summary. The strengths of this approach over single gene analysis...

Multiwfn is a multifunctional program for wavefunction analysis. Its main functions are: (1) Calculating and visualizing real space function, such as electrostatic potential and electron localization function at point, i...

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD scales to hundreds of processors on high-end parallel platforms, as well as tens of processors on lo...

Abstract ORCA is a general‐purpose quantum chemistry program package that features virtually all modern electronic structure methods (density functional theory, many‐body perturbation and coupled cluster theories, an...

ColabFold offers accelerated prediction of protein structures and complexes by combining the fast homology search of MMseqs2 with AlphaFold2 or RoseTTAFold. ColabFold's 40-60-fold faster search and optimized model utiliz...

With its theoretical basis firmly established in molecular evolutionary and population genetics, the comparative DNA and protein sequence analysis plays a central role in reconstructing the evolutionary histories of spec...

Tesis de Doctorado El bloqueo de los puntos de control como CTLA-4 y PD-1/PD-L1 ha demostrado la actividad de efectores inmunes antitumorales, por lo que ha aumentado el interés en el desarrollo de inmunoterapias contra...

Tesis Energía y Ambiente (maestría) - Instituto Tecnológico de Buenos Aires, Buenos Aires - Karlsruher Institut für Technologie, Karlsruhe, 2024 "Simulation of Rotating Detonation Combustors (RDC) represents a signif...

Tesis Energía y Ambiente (maestría) - Instituto Tecnológico de Buenos Aires, Buenos Aires - Karlsruher Institut für Technologie, Karlsruhe, 2024 "Simulation of Rotating Detonation Combustors (RDC) represents a signif...

(NOTE: Each chapter begins with an Introduction, and concludes with Exercises and References.) I. GETTING STARTED. 1. Aspects of Multivariate Analysis. Applications of Multivariate Techniques. The Organization of Data. D...

Abstract Proteins are essential to life, and understanding their structure can facilitate a mechanistic understanding of their function. Through an enormous experimental effort 1–4 , the structures of around 100,000 un...

Materias / palabras clave: computational methods, mathematical methods, applied mathematics, computational mathematics, numerical methods; Science: Mathematics; Technology: Technology (General): Industrial engineering. Management engineering: Appl...

Materias / palabras clave: computational methods, communication science, text analysis, big data; Language and Literature: Philology. Linguistics: Communication. Mass media; Science: Mathematics: Instruments and machines: Electronic computers. Com...

Materias / palabras clave: materials modeling and theory, novel materials, computational methods, theoretical simulation; Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of...

Materias / palabras clave: numerical methods, computational mathematics, computer networks, computational modeling, computational methodology, computational simulation; Science: Mathematics

Materias / palabras clave: mechanical engineering, fluid mechanics, hydraulic engineering, flow prediction, computational methods; Technology: Engineering (General). Civil engineering (General)

Materias / palabras clave: mathematical methods, numerical methods, engineering, mathematics, computational analysis; Technology: Technology (General): Industrial engineering. Management engineering: Applied mathematics. Quantitative methods; Scie...

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: computational mathematics, data science, numerical methods, theoretical analysis, machine learning, data mining; Science: Mathematics: Instruments and machines: Electronic computers. Computer science