76 research outputs found

    A Review of Model Predictive Controls Applied to Advanced Driver-Assistance Systems

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    Advanced Driver-Assistance Systems (ADASs) are currently gaining particular attention in the automotive field, as enablers for vehicle energy consumption, safety, and comfort enhancement. Compelling evidence is in fact provided by the variety of related studies that are to be found in the literature. Moreover, considering the actual technology readiness, larger opportunities might stem from the combination of ADASs and vehicle connectivity. Nevertheless, the definition of a suitable control system is not often trivial, especially when dealing with multiple-objective problems and dynamics complexity. In this scenario, even though diverse strategies are possible (e.g., Equivalent Consumption Minimization Strategy, Rule-based strategy, etc.), the Model Predictive Control (MPC) turned out to be among the most effective ones in fulfilling the aforementioned tasks. Hence, the proposed study is meant to produce a comprehensive review of MPCs applied to scenarios where ADASs are exploited and aims at providing the guidelines to select the appropriate strategy. More precisely, particular attention is paid to the prediction phase, the objective function formulation and the constraints. Subsequently, the interest is shifted to the combination of ADASs and vehicle connectivity to assess for how such information is handled by the MPC. The main results from the literature are presented and discussed, along with the integration of MPC in the optimal management of higher level connection and automation. Current gaps and challenges are addressed to, so as to possibly provide hints on future developments

    Conformational fluctuations and electronic properties in myoglobin

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    Abstract: In this article we use the recently developed perturbed matrix method (PMM) to investigate the effect of conformational fluctuations on the electronic properties of heme in Myoglobin. This widely studied biomolecule has been chosen as a benchmark for evaluating the accuracy of PMM in a large and complex system. Using a long, 80-ns, molecular dynamics simulation and unperturbed Configuration Interaction (CISD) calculations in PMM, we reproduced the main spectroscopic features of deoxy-Myoglobin. Moreover, in line with our previous results on a photosensitive protein, this study reveals a clear dynamical coupling between electronic properties and conformational fluctuations, suggesting that this correlation could be a general feature of proteins

    Molecular dynamics studies of protein and peptide misfolding

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    A theoretical model for folding/unfolding thermodynamics of single domain proteins based on the quasi-Gaussian entropy theory

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    A Molecular Dynamics Study of Acylphosphatase in aggregation promoting conditions: The Influence of TFE/water solvent

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    Molecular dynamics study of a hyperthermophilic and a mesophilic Rubredoxin.

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    In recent years, increased interest in the origin of protein thermal stability has gained attention both for its possible role in understanding the forces governing the folding of a protein and for the design of new highly stable engineered biocatalysts. To study the origin of thermostability, we have performed molecular dynamics simulations of two rubredoxins, from the mesophile Clostridium pasteurianum and from the hyperthermophile Pyrococcus furiosus. The simulations were carried out at two temperatures, 300 and 373 K, for each molecule. The length of the simulations was within the range of 6–7.2 ns. The rubredoxin from the hyperthermophilic organism was more flexible than its mesophilic counterpart at both temperatures; however, the overall flexibility of both molecules at their optimal growth temperature was the same, despite 59% sequence homology. The conformational space sampled by both molecules was larger at 300 K than at 373 K. The essential dynamics analysis showed that the principal overall motions of the two molecules are significantly different. On the contrary, each molecule showed similar directions of motion at both temperatures

    Monte Carlo folding of trans-membrane helical peptides in an implicit generalized Born membrane

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