ALBERT

Description: Energies, Vol. 10, Pages 1333: A Personalized Rolling Optimal Charging Schedule for Plug-In Hybrid Electric Vehicle Based on Statistical Energy Demand Analysis and Heuristic Algorithm Energies doi: 10.3390/en10091333 Authors: Fanrong Kong Jianhui Jiang Zhigang Ding Junjie Hu Weian Guo Lei Wang To alleviate the emission of greenhouse gas and the dependence on fossil fuel, Plug-in Hybrid Electrical Vehicles (PHEVs) have gained an increasing popularity in current decades. Due to the fluctuating electricity prices in the power market, a charging schedule is very influential to driving cost. Although the next-day electricity prices can be obtained in a day-ahead power market, a driving plan is not easily made in advance. Although PHEV owners can input a next-day plan into a charging system, e.g., aggregators, day-ahead, it is a very trivial task to do everyday. Moreover, the driving plan may not be very accurate. To address this problem, in this paper, we analyze energy demands according to a PHEV owner’s historical driving records and build a personalized statistic driving model. Based on the model and the electricity spot prices, a rolling optimization strategy is proposed to help make a charging decision in the current time slot. On one hand, by employing a heuristic algorithm, the schedule is made according to the situations in the following time slots. On the other hand, however, after the current time slot, the schedule will be remade according to the next tens of time slots. Hence, the schedule is made by a dynamic rolling optimization, but it only decides the charging decision in the current time slot. In this way, the fluctuation of electricity prices and driving routine are both involved in the scheduling. Moreover, it is not necessary for PHEV owners to input a day-ahead driving plan. By the optimization simulation, the results demonstrate that the proposed method is feasible to help owners save charging costs and also meet requirements for driving.

Description: Inhibitors that form covalent bonds with their targets have traditionally been considered highly adventurous due to their potential off-target effects and toxicity concerns. However, with the clinical validation and approval of many covalent inhibitors during the past decade, design and discovery of novel covalent inhibitors have attracted increasing attention. A large amount of scattered experimental data for covalent inhibitors have been reported, but a resource by integrating the experimental information for covalent inhibitor discovery is still lacking. In this study, we presented Covalent Inhibitor Database (CovalentInDB), the largest online database that provides the structural information and experimental data for covalent inhibitors. CovalentInDB contains 4511 covalent inhibitors (including 68 approved drugs) with 57 different reactive warheads for 280 protein targets. The crystal structures of some of the proteins bound with a covalent inhibitor are provided to visualize the protein–ligand interactions around the binding site. Each covalent inhibitor is annotated with the structure, warhead, experimental bioactivity, physicochemical properties, etc. Moreover, CovalentInDB provides the covalent reaction mechanism and the corresponding experimental verification methods for each inhibitor towards its target. High-quality datasets are downloadable for users to evaluate and develop computational methods for covalent drug design. CovalentInDB is freely accessible at http://cadd.zju.edu.cn/cidb/.