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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 ...
Stochastic models of biological networks properly take the randomness of molecular dynamics in living cells into account. Numerical solution approaches inspired by computational methods from applied probability can efficiently yield accurate results and ha ...
Dynamic mesh adaptation on unstructured grids, by localised refinement and derefinement, is a very efficient tool for enhancing solution accuracy and optimise computational time. One of the major drawbacks however resides in the projection of the new nodes ...
Several important societal and economic world problems can be addressed by the smart use of technology. The last forty years have witnessed the realization of computational systems and networks, rooted in our ability of crafting complex integrated circuits ...
Novel computational methods such as artificial neural networks, adaptive neuro-fuzzy inference systems and genetic programming are used in this chapter for the modeling of the nonlinear behavior of composite laminates subjected to constant amplitude loadin ...
Several important societal and economic world problems can be addressed by the smart use of technology. The last forty years have witnessed the realization of computational systems and networks, rooted in our ability of crafting complex integrated circuits ...
Traditional methods for flow cytometry (FCM) data processing rely on subjective manual gating. Recently, several groups have developed computational methods for identifying cell populations in multidimensional FCM data. The Flow Cytometry: Critical Assessm ...
One of the most important advances in biology in recent years may be the discovery of RNAs that can regulate gene expression. As one kind of such functional noncoding RNAs, microRNAs (miRNAs) forma class of endogenous 19–23-nucleotide RNAs that can have im ...
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 ...
A computational method for multiscale modeling of plasticity is presented wherein each dislocation is treated as either an atomistic or continuum entity within a single computational framework. The method divides space into atomistic and continuum regions ...
