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Corey Andrews Yiting Xu Michael Kirberger Jenny J. Yang 《International journal of molecular sciences》2021,22(1)
Calmodulin (CaM) is an important intracellular protein that binds Ca2+ and functions as a critical second messenger involved in numerous biological activities through extensive interactions with proteins and peptides. CaM’s ability to adapt to binding targets with different structures is related to the flexible central helix separating the N- and C-terminal lobes, which allows for conformational changes between extended and collapsed forms of the protein. CaM-binding targets are most often identified using prediction algorithms that utilize sequence and structural data to predict regions of peptides and proteins that can interact with CaM. In this review, we provide an overview of different CaM-binding proteins, the motifs through which they interact with CaM, and shared properties that make them good binding partners for CaM. Additionally, we discuss the historical and current methods for predicting CaM binding, and the similarities and differences between these methods and their relative success at prediction. As new CaM-binding proteins are identified and classified, we will gain a broader understanding of the biological processes regulated through changes in Ca2+ concentration through interactions with CaM. 相似文献
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针对煤矿进口锚杆机除尘马达频繁出现故障的情况,通过排查除尘装置的安装方式和监测马达工作时的压力状态,查找故障原因,并制定解决方案。通过马达外接单向阀,可满足马达进油口最低安全压力限制的要求,解决了马达频繁损坏的问题,保障了设备工作的稳定性,提高了工作效率。 相似文献
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引入句法依存信息到原方面术语,提出一种新的方面术语表示方法,利用Glove词向量表示单词以及单词与单词之间的依存关系,构造出包含句法依存信息的依存关系邻接矩阵和依存关系表示矩阵,利用图卷积神经网络和多头注意力机制将句法依存信息融入到方面术语中,使得方面术语表达与上下文结构高度相关。将改进后的方面词术语表示替换到现有模型后,模型泛化能力得到有效提升。对比试验和分析结果表明:该方法具有有效性和泛化性。 相似文献
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Zhiwei Qiao Lifeng Li Shuhua Li Hong Liang Jian Zhou Randall Q. Snurr 《American Institute of Chemical Engineers》2021,67(10):e17352
Computational screening was employed to calculate the enantioseparation capabilities of 45 functionalized homochiral metal–organic frameworks (FHMOFs), and machine learning (ML) and molecular fingerprint (MF) techniques were used to find new FHMOFs with high performance. With increasing temperature, the enantioselectivities for (R,S)-1,3-dimethyl-1,2-propadiene are improved. The “glove effect” in the chiral pockets was proposed to explain the correlations between the steric effect of functional groups and performance of FHMOFs. Moreover, the neighborhood component analysis and RDKit/MACCS MFs show the highest predictive effect on enantioselectivities among the four ML classification algorithms with nine MFs that were tested. Based on the importance of MF, 85 new FHMOFs were designed, and a newly designed FHMOF, NO2-NHOH-FHMOF, with high similarity to the optimal MFs achieved improved chiral separation performance, with enantioselectivities of 85%. The design principles and new chiral pockets obtained by ML and MFs could facilitate the development of new materials for chiral separation. 相似文献
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Wafaa Mohamed SHABAN Khalid ELBAZ Mohamed AMIN Ayat gamal ASHOUR 《Frontiers of Structural and Civil Engineering》2022,16(3):329
This study presents a new systematic algorithm to optimize the durability of reinforced recycled aggregate concrete. The proposed algorithm integrates machine learning with a new version of the firefly algorithm called chaotic based firefly algorithm (CFA) to evolve a rational and efficient predictive model. The CFA optimizer is augmented with chaotic maps and Lévy flight to improve the firefly performance in forecasting the chloride penetrability of strengthened recycled aggregate concrete (RAC). A comprehensive and credible database of distinctive chloride migration coefficient results is used to establish the developed algorithm. A dataset composite of nine effective parameters, including concrete components and fundamental characteristics of recycled aggregate (RA), is used as input to predict the migration coefficient of strengthened RAC as output. k-fold cross validation algorithm is utilized to validate the hybrid algorithm. Three numerical benchmark analyses are applied to prove the superiority and applicability of the CFA algorithm in predicting chloride penetrability. Results show that the developed CFA approach significantly outperforms the firefly algorithm on almost tested functions and demonstrates powerful prediction. In addition, the proposed strategy can be an active tool to recognize the contradictions in the experimental results and can be especially beneficial for assessing the chloride resistance of RAC. 相似文献
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机器翻译译文质量估计(Quality Estimation,QE)是指在不需要人工参考译文的条件下,估计机器翻译系统产生的译文的质量,对机器翻译研究和应用具有很重要的价值。机器翻译译文质量估计经过最近几年的发展,取得了丰富的研究成果。该文首先介绍了机器翻译译文质量估计的背景与意义;然后详细介绍了句子级QE、单词级QE、文档级QE的具体任务目标、评价指标等内容,进一步概括了QE方法发展的三个阶段: 基于特征工程和机器学习的QE方法阶段,基于深度学习的QE方法阶段,融入预训练模型的QE方法阶段,并介绍了每一阶段中的代表性研究工作;最后分析了目前的研究现状及不足,并对未来QE方法的研究及发展方向进行了展望。 相似文献