a Institut Químic de Sarrià (IQS), Laboratory of Biochemistry, Via Augusta, 390, Barcelona, ES 08017, Spain b Centre Européen de Calcul Atomique et Moléculaire (CECAM), Ecole Polytechnique Fédérale de Lausanne, BCH 4102, Lausanne, CH 1015, Switzerland c Max Planck Institute of Biophysics (MPIBP), Theoretical Molecular Biophysics, Max-von-Laue-Straße, 3, Frankfurt am Main, DE 60438, Germany d Sc...

Molecular dynamics simulations have a prominent role in biophysics and drug discovery due to the atomistic information they provide on the structure, energetics and dynamics of biomolecules. Specialized software packages are required to analyze simulated trajectories, either interactively or via scripts, to derive quantities of interest and provide insight for further experiments. This paper pr...

A model for total cross sections with virtual photons is presented. In particular γp and γγ cross sections are considered. Our approach extends on a model for photoproduction, where the total cross section is subdivided into three distinct event classes: direct, VMD and anomalous. With increasing photon virtuality, the latter two decrease in importance. Instead Deep Inelastic Scattering dominat...

In the modern financial market, quantitative investment is a more advanced method, which has been widely used in capital market with characteristics of simplicity, efficiency, and plasticity. Compared other countries, China started late field, strategies are not perfect enough to be studied depth. To study in-depth, this paper proposes GA-VMD-SSA-DELM model. By building an extreme learning mach...

Changes in the consumption price of aquatic products will affect demand and fishermen’s income. The accurate prediction consumer index provides important information regarding product market. Based on non-linear non-smooth characteristics fishery series, this paper innovatively proposes a forecasting model that is based Variational Modal Decomposition Improved bald eagle search algorithm optimi...

Fractured-vuggy carbonate reservoirs have complex geological structures including pores, caves and fractures, which causes frequent working system adjustments makes the production prediction extremely challenging. Currently, most widely used methods in such are water drive characteristic curve machine learning based models. However, (such as well shut-in) could make unstable, provides unsatisfa...

Partial discharge (PD) online monitoring is a common technique for high-voltage equipment diagnosis. However, due to field interference, the monitored PD signal contains lot of noise. Therefore, this paper proposes novel method by integrating flower pollination algorithm, variational mode decomposition, and Savitzky–Golay filter (FPA-VMD-SG) effectively suppress white noise narrowband in signal...

The ship-radiated noise (SN) is easily affected by other hydroacoustic objects or complex ocean when it spreads through water. In order to reduce the impact from environment, a denoising method for SN based on optimized variational mode decomposition with snake optimization (SO-VMD) and dual-threshold criteria of correlation coefficient (CC) proposed in this paper. first step optimize parameter...

An innovative concept is proposed to recover ammonia from industrial wastewater using a molecular sieve silica membrane in pervaporation (PV), benchmarked against vacuum membrane distillation (VMD). Cobalt and iron doped molecular sieve silica-based ceramic membranes were evaluated based on the ammonia concentration factor downstream and long-term performance. A modified low-temperature membran...

The operating condition of rolling bearings affects productivity and quality in the rotating machine process. Developing an effective rolling bearing condition monitoring approach is critical to accurately identify the operating condition. In this paper, a hybrid generalized hidden Markov model-based condition monitoring approach for rolling bearings is proposed, where interval valued features ...