Concept

Computational mathematics

Related publications (132)

Non-specific SIRT inhibition as a mechanism for the cytotoxicity of ginkgolic acids and urushiols

Ginkgolic acids and urushiols are natural alkylphenols known for their mutagenic, carcinogenic and genotoxic potential. However, the mechanism of toxicity of these compounds has not been thoroughly elucidated so far. Considering that the SIRT inhibitory po ...

Elsevier2014

On Numerical Error Propagation with Sensitivity

Viktor Kuncak, Eva Darulova

An emerging area of research is to automatically compute reasonably accurate upper bounds on numerical errors, including roundoffs due to the use of a finite-precision representation for real numbers such as floating point or fixed-point arithmetic. Previo ...

2014

Comparison between reduced basis and stochastic collocation methods for elliptic problems

Alfio Quarteroni, Gianluigi Rozza, Peng Chen

The stochastic collocation method has recently been applied to stochastic problems that can be transformed into parametric systems. Meanwhile, the reduced basis method, primarily developed for solving parametric systems, has been recently used to deal with ...

Springer Verlag2014

Social Adaptation of Robots for Modulating Self-Organization in Animal Societies

Francesco Mondada, Robert Matthew Mills, Frank Bonnet, Marcelo Elias de Oliveira

The goal of the work presented here is to influence the overall behaviour of specific animal societies by integrating computational mechatronic devices (robots) into those societies. To do so, these devices should be accepted by the animals as part of the ...

IEEE2014

Lessons from Nature: Computational Design of Biomimetic Compounds and Processes

Ursula Röthlisberger, Pablo Campomanes Ramos, Elizabeth Claire Brunk, Negar Ashari Astani, Marta Andreia Da Silva Perez, Esra Bozkurt, Nicholas John Browning

Through millions of years of evolution, Nature has accomplished the development of highly efficient and sustainable processes and the idea to understand and copy natural strategies is therefore very appealing. However, in spite of intense experimental and ...

2014

Assessing the performance of computational methods for the prediction of the ground state structure of a cyclic decapeptide

Ursula Röthlisberger, Thomas Rizzo, Ivano Tavernelli, Natalia Nagornova, Matteo Guglielmi

We benchmark the performance of various computational approaches, ranging from the classical nonpolarizable force fields AMBER FF96 and FF99SB, the polarizable force fields AMBER FF02polEP and AMOEBAbio09 to the semiempirical DFT method SCC-DFTB. The test ...

Wiley-Blackwell2013

Computational design of ligand-binding proteins with high affinity and selectivity

Kai Johnsson, Alberto Schena

The ability to design proteins with high affinity and selectivity for any given small molecule is a rigorous test of our understanding of the physiochemical principles that govern molecular recognition. Attempts to rationally design ligand-binding proteins ...

Nature Publishing Group2013

Multi-physics optimization of three-dimensional microvascular polymeric components

Alejandro Marcos Aragon

This work discusses the computational design of microvascular polymeric materials, which aim at mimicking the behavior found in some living organisms that contain a vascular system. The optimization of the topology of the embedded three-dimensional microva ...

Academic Press Inc Elsevier Science2013

Computational approaches to developmental patterning

Andrew Charles Oates

Computational approaches are breaking new ground in understanding how embryos form. Here, we discuss recent studies that couple precise measurements in the embryo with appropriately matched modeling and computational methods to investigate classic embryoni ...

2012

Computational Methods For Structured Sparse Component Analysis of Convolutive Speech Mixtures

Hervé Bourlard, Volkan Cevher, Afsaneh Asaei

We cast the under-determined convolutive speech separation as sparse approximation of the spatial spectra of the mixing sources. In this framework we compare and contrast the major practical algorithms for structured sparse recovery of speech signal. Speci ...

2012

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