IGLOO: AN ITERATIVE GLOBAL EXPLORATION AND LOCAL OPTIMIZATION ALGORITHM TO FIND DIVERSE LOW-ENERGY CONFORMATIONS OF FLEXIBLE MOLECULES

IGLOO: An Iterative Global Exploration and Local Optimization Algorithm to Find Diverse Low-Energy Conformations of Flexible Molecules

The exploration of the energy landscape of a chemical system is essential for understanding and predicting its observable properties.In most cases, this is a challenging task due to the high complexity of such landscapes, which often consist of multiple, possibly hierarchical basins that MINTS SPEARMINT are difficult to locate and thoroughly explor

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Behavior Analysis of the New PSO-CGSA Algorithm in Solving the Combined Economic Emission Dispatch Using Non-parametric Tests

This paper proposes a new metahaeuristic algorithm named particle swarm optimization and chaotic gravitational search algorithm (PSO-CGSA) for solving the combined economic and emission dispatch (CEED) problem.First, we determine the efficiency and effectiveness measures of the Control Panel algorithm and compare it with other well-known algorithms

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Territories of Equivalence

The production regimes of every era do not remain in the factory but permeate every aspect of a society including its architecture and design culture.Mechanisation transformed space, in particular the household into an efficient machine, with industrial components and standardised dimensions (from the bathtub to the streamlined kitchen), while mili

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Preclinical characterization of recombinant human tissue kallikrein-1 as a novel treatment for type 2 diabetes mellitus.

Modulation of the kallikrein-kinin system (KKS) has been shown to have beneficial effects on glucose homeostasis and several other physiological responses relevant to the progression of type 2 diabetes mellitus (T2D).The importance of bradykinin and its receptors in mediating these responses is well documented, but the role of tissue kallikrein-1,

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