We proposed a practical way for mapping the results of coarse-grained molecular simulations to the observables in hydrogen change experiments.By combining an atomic-interaction based coarse-grained model with an all-a...We proposed a practical way for mapping the results of coarse-grained molecular simulations to the observables in hydrogen change experiments.By combining an atomic-interaction based coarse-grained model with an all-atom structure reconstruction algorithm,we reproduced the experimental hydrogen exchange data with reasonable accuracy using molecular dynamics simulations.We also showed that the coarse-grained model can be further improved by imposing experimental restraints from hydrogen exchange data via an iterative optimization strategy.These results suggest that it is feasible to develop an integrative molecular simulation scheme by incorporating the hydrogen exchange data into the coarse-grained molecular dynamics simulations and therefore help to overcome the accuracy bottleneck of coarse-grained models.展开更多
RNAs play crucial and versatile roles in biological processes. Computational prediction approaches can help to understand RNA structures and their stabilizing factors, thus providing information on their functions, an...RNAs play crucial and versatile roles in biological processes. Computational prediction approaches can help to understand RNA structures and their stabilizing factors, thus providing information on their functions, and facilitating the design of new RNAs. Machine learning (ML) techniques have made tremendous progress in many fields in the past few years. Although their usage in protein-related fields has a long history, the use of ML methods in predicting RNA tertiary structures is new and rare. Here, we review the recent advances of using ML methods on RNA structure predictions and discuss the advantages and limitation, the difficulties and potentials of these approaches when applied in the field.展开更多
RNAs play crucial and versatile roles in cellular biochemical reactions.Since experimental approaches of determining their three-dimensional(3D)structures are costly and less efficient,it is greatly advantageous to de...RNAs play crucial and versatile roles in cellular biochemical reactions.Since experimental approaches of determining their three-dimensional(3D)structures are costly and less efficient,it is greatly advantageous to develop computational methods to predict RNA 3D structures.For these methods,designing a model or scoring function for structure quality assessment is an essential step but this step poses challenges.In this study,we designed and trained a deep learning model to tackle this problem.The model was based on a graph convolutional network(GCN)and named RNAGCN.The model provided a natural way of representing RNA structures,avoided complex algorithms to preserve atomic rotational equivalence,and was capable of extracting features automatically out of structural patterns.Testing results on two datasets convincingly demonstrated that RNAGCN performs similarly to or better than four leading scoring functions.Our approach provides an alternative way of RNA tertiary structure assessment and may facilitate RNA structure predictions.RNAGCN can be downloaded from https://gitee.com/dcw-RNAGCN/rnagcn.展开更多
This paper investigates whether religious traditions influence firm-specific crash risk in China.Using a sample of A-share listed firms from 2003 to 2013,we provide evidence that the more intense the religious environ...This paper investigates whether religious traditions influence firm-specific crash risk in China.Using a sample of A-share listed firms from 2003 to 2013,we provide evidence that the more intense the religious environment,the lower the stock price crash risk,implying that religion plays an important role in Chinese corporate governance.Further,we find that(1) religion affects stock price crash risk by reducing earnings management and the management perk problem;(2) different religions have different effects,and Taoism,in particular,is unrelated to crash risk; and(3) the effects of religion are more pronounced with higher quality corporate governance and a stronger legal environment.Religion constrains the management agency problem,thus reducing stock price crash risk in China.Our paper enriches the literature on stock price crash risk and religion,and on new economic geography.展开更多
Based on upper echelons theory and using a sample of private Chinese A-share listed firms from 2008 to 2020,this paper studies the impact of executives’overseas experience on firms’labor investment efficiency.The re...Based on upper echelons theory and using a sample of private Chinese A-share listed firms from 2008 to 2020,this paper studies the impact of executives’overseas experience on firms’labor investment efficiency.The results show that executives with overseas experience significantly enhance firms’labor investment efficiency.After distinguishing between different types of overseas experience,the results show that executives with only study experience or with both study and work experience abroad have a significant positive effect on firms’labor investment efficiency,while executives with only overseas work experience have no significant effect.A cross-sectional analysis based on labor adjustment costs shows that the positive impact of executives’overseas experience is more pronounced in labor-intensive firms,firms with a greater proportion of R&D investment and firms with a higher percentage of highly educated employees.The mechanism tests show that executives with overseas experience can optimize labor investment efficiency by lowering agency costs,attracting analyst attention and alleviating financing constraints under conditions of underemployment.This study enriches the literature on the characteristics of executive teams and the efficiency of labor investment,providing reference and inspiration for firms to attract more high-quality returnees and optimize their labor resource allocation.展开更多
The information gap in the M&A market hinders acquirers from effectively identifying high-quality targets. We examine whether VC/PEs convey information content in the M&A market and whether acquirers can use s...The information gap in the M&A market hinders acquirers from effectively identifying high-quality targets. We examine whether VC/PEs convey information content in the M&A market and whether acquirers can use such information to identify high-quality targets. We show that VC/PEs have significant information content and can signal high-quality target companies via ‘‘certification". When acquirers lack acquisition experience and targets are located in inferior information environments, VC/PE ‘‘certification" is more significant.The better reputation a VC/PE has, the more information it conveys. Syndicate VC/PEs convey stronger information than independent VC/PEs. We also find that acquirers do not pay higher premiums for high-quality targets. Overall, our results suggest that VC/PEs have value relevance in the M&A market,confirming their ‘‘certification" role. We present means for acquirers to select high-quality targets and investors to build efficient portfolios.展开更多
As one of the largest and most representative families of natural medicines harvested from plants,the mass production of opioids legitimately occupies large,worldwide farmland cultivation of opium poppies,causing seve...As one of the largest and most representative families of natural medicines harvested from plants,the mass production of opioids legitimately occupies large,worldwide farmland cultivation of opium poppies,causing severe regulation limitations and supply uncertainty.Due to their complex structures,the chemical synthesis of opioids has been criticized as infeasible for large-scale production in view of lengthy synthetic steps and overall low efficiency.展开更多
基金the National Natural Science Foundation of China(Grant Nos.11974173 and 11934008)the HPC Center of Nanjing University。
文摘We proposed a practical way for mapping the results of coarse-grained molecular simulations to the observables in hydrogen change experiments.By combining an atomic-interaction based coarse-grained model with an all-atom structure reconstruction algorithm,we reproduced the experimental hydrogen exchange data with reasonable accuracy using molecular dynamics simulations.We also showed that the coarse-grained model can be further improved by imposing experimental restraints from hydrogen exchange data via an iterative optimization strategy.These results suggest that it is feasible to develop an integrative molecular simulation scheme by incorporating the hydrogen exchange data into the coarse-grained molecular dynamics simulations and therefore help to overcome the accuracy bottleneck of coarse-grained models.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 11774158, 11974173, 11774157, and 11934008)。
文摘RNAs play crucial and versatile roles in biological processes. Computational prediction approaches can help to understand RNA structures and their stabilizing factors, thus providing information on their functions, and facilitating the design of new RNAs. Machine learning (ML) techniques have made tremendous progress in many fields in the past few years. Although their usage in protein-related fields has a long history, the use of ML methods in predicting RNA tertiary structures is new and rare. Here, we review the recent advances of using ML methods on RNA structure predictions and discuss the advantages and limitation, the difficulties and potentials of these approaches when applied in the field.
基金funded by the National Natural Science Foundation of China(Grant Nos.11774158 to JZ,11934008 to WW,and 11974173 to WFL)。
文摘RNAs play crucial and versatile roles in cellular biochemical reactions.Since experimental approaches of determining their three-dimensional(3D)structures are costly and less efficient,it is greatly advantageous to develop computational methods to predict RNA 3D structures.For these methods,designing a model or scoring function for structure quality assessment is an essential step but this step poses challenges.In this study,we designed and trained a deep learning model to tackle this problem.The model was based on a graph convolutional network(GCN)and named RNAGCN.The model provided a natural way of representing RNA structures,avoided complex algorithms to preserve atomic rotational equivalence,and was capable of extracting features automatically out of structural patterns.Testing results on two datasets convincingly demonstrated that RNAGCN performs similarly to or better than four leading scoring functions.Our approach provides an alternative way of RNA tertiary structure assessment and may facilitate RNA structure predictions.RNAGCN can be downloaded from https://gitee.com/dcw-RNAGCN/rnagcn.
基金supported by the National Natural Science Foundation of China(Project Nos.7137215171502040+1 种基金715702041971332004)
文摘This paper investigates whether religious traditions influence firm-specific crash risk in China.Using a sample of A-share listed firms from 2003 to 2013,we provide evidence that the more intense the religious environment,the lower the stock price crash risk,implying that religion plays an important role in Chinese corporate governance.Further,we find that(1) religion affects stock price crash risk by reducing earnings management and the management perk problem;(2) different religions have different effects,and Taoism,in particular,is unrelated to crash risk; and(3) the effects of religion are more pronounced with higher quality corporate governance and a stronger legal environment.Religion constrains the management agency problem,thus reducing stock price crash risk in China.Our paper enriches the literature on stock price crash risk and religion,and on new economic geography.
基金support from the Ministry of Education of Humanities and Social Science Project(21YJC630055)the Guangdong Province Philosophy and Social Sciences Coconstruction Project(GD23XGL069).
文摘Based on upper echelons theory and using a sample of private Chinese A-share listed firms from 2008 to 2020,this paper studies the impact of executives’overseas experience on firms’labor investment efficiency.The results show that executives with overseas experience significantly enhance firms’labor investment efficiency.After distinguishing between different types of overseas experience,the results show that executives with only study experience or with both study and work experience abroad have a significant positive effect on firms’labor investment efficiency,while executives with only overseas work experience have no significant effect.A cross-sectional analysis based on labor adjustment costs shows that the positive impact of executives’overseas experience is more pronounced in labor-intensive firms,firms with a greater proportion of R&D investment and firms with a higher percentage of highly educated employees.The mechanism tests show that executives with overseas experience can optimize labor investment efficiency by lowering agency costs,attracting analyst attention and alleviating financing constraints under conditions of underemployment.This study enriches the literature on the characteristics of executive teams and the efficiency of labor investment,providing reference and inspiration for firms to attract more high-quality returnees and optimize their labor resource allocation.
基金by the National Natural Science Foundation of China (Project Nos. 71702038 71572201+1 种基金 71672204)the Natural Science Foundation of Guangdong Province (Project No. 2015A030313074)
文摘The information gap in the M&A market hinders acquirers from effectively identifying high-quality targets. We examine whether VC/PEs convey information content in the M&A market and whether acquirers can use such information to identify high-quality targets. We show that VC/PEs have significant information content and can signal high-quality target companies via ‘‘certification". When acquirers lack acquisition experience and targets are located in inferior information environments, VC/PE ‘‘certification" is more significant.The better reputation a VC/PE has, the more information it conveys. Syndicate VC/PEs convey stronger information than independent VC/PEs. We also find that acquirers do not pay higher premiums for high-quality targets. Overall, our results suggest that VC/PEs have value relevance in the M&A market,confirming their ‘‘certification" role. We present means for acquirers to select high-quality targets and investors to build efficient portfolios.
基金support was provided by the National Natural Science Foundation of China(grant nos.21991114,21921002,and 21732005)and Drug Innovation Major Project(grant no.2018ZX09711003).
文摘As one of the largest and most representative families of natural medicines harvested from plants,the mass production of opioids legitimately occupies large,worldwide farmland cultivation of opium poppies,causing severe regulation limitations and supply uncertainty.Due to their complex structures,the chemical synthesis of opioids has been criticized as infeasible for large-scale production in view of lengthy synthetic steps and overall low efficiency.
