Sentence examples for sampling and optimization from inspiring English sources

Repeating the process (sampling and optimization) many times, we obtain a distribution of optimal target flux values.

Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.

To accurately determine the reaction path and its energetics for enzymatic and solution-phase reactions, we present a sequential sampling and optimization approach that greatly enhances the efficiency of the ab initio quantum mechanics/molecular mechanics minimum free-energy path (QM/MM-MFEP) method.

The activation free energies calculated with this new sequential sampling and optimization approach to the QM/MM-MFEP method agree well with results from other simulation approaches such as the umbrella sampling technique with direct QM/MM dynamics sampling, demonstrating the accuracy of the iterative QM/MM-MFEP method.

In our new sequential sampling and optimization approach, we aim to reduce the amount of MM sampling while still retaining the accuracy of the results by first carrying out MM phase-space sampling and then optimizing the QM subsystem in the fixed-size ensemble of MM conformations.

Our approach provides an experimental design path to follow with a mathematically simple sampling and optimization framework in the absence of time series data, but only a set of qualitative observations (phenotypes) available to train the model.

Development of monoclonal antibody based sandwich enzyme linked immunosorbant assay (sELISA) for rapid detection of Salmonella enterica serovar typhi (S. typhi) from food and water samples and optimization of enrichment procedures for use with the developed sELISA to increase the detection sensitivity of the assay.

The diminution of slump values is due to the small particle size, particles that were components of bentonite samples, and optimization of the textural properties of natural bentonite with functionalization process.

Robustness of PF, precision of Harris corner-based samples, and optimization of AAM result in a powerful facial points tracking on very low-contrast images acquired under near-infrared (NIR) illumination.

The initial crystallization conditions for BaKynB gave only small mechanically twinned samples and optimization was carried out in 24-well hanging drop plates using a ratio of 1 1 in final volumes of 2 and 4 μl at 20°C.

Further developments of scoring functions, sampling strategies, and optimization methods will expand the range of applicability of computational protein design to larger and more varied systems, with greater incidence of success.