Over the past decade,traditional Chinese medicine(TCM) has widely embraced systems biology and its various data integration approaches to promote its modernization.Thus,integrative pharmacology-based traditional Chine...Over the past decade,traditional Chinese medicine(TCM) has widely embraced systems biology and its various data integration approaches to promote its modernization.Thus,integrative pharmacology-based traditional Chinese medicine(TCMIP) was proposed as a paradigm shift in TCM.This review focuses on the presentation of this novel concept and the main research contents,methodologies and applications of TCMIP.First,TCMIP is an interdisciplinary science that can establish qualitative and quantitative pharmacokinetics-pharmacodynamics(PK-PD) correlations through the integration of knowledge from multiple disciplines and techniques and from different PK-PD processes in vivo.Then,the main research contents of TCMIP are introduced as follows:chemical and ADME/PK profiles of TCM formulas;confirming the three forms of active substances and the three action modes;establishing the qualitative PK-PD correlation;and building the quantitative PK-PD correlations,etc.After that,we summarize the existing data resources,computational models and experimental methods of TCMIP and highlight the urgent establishment of mathematical modeling and experimental methods.Finally,we further discuss the applications of TCMIP for the improvement of TCM quality control,clarification of the molecular mechanisms underlying the actions of TCMs and discovery of potential new drugs,especially TCM-related combination drug disco very.展开更多
The coupling effects among lateral mode,longitudinal mode and torsional mode of a launch vehicle cannot be taken into account in traditional dynamic analysis using lateral beam model and longitudinal spring-mass model...The coupling effects among lateral mode,longitudinal mode and torsional mode of a launch vehicle cannot be taken into account in traditional dynamic analysis using lateral beam model and longitudinal spring-mass model individually.To deal with the problem,propellant analogy methods based on beam model are proposed and coupled mass-matrix of liquid propellant is constructed through additional mass in the present study.Then an integrated model of launch vehicle for free vibration analysis is established,by which research on the interactions between longitudinal and lateral modes,longitudinal and torsional modes of the launch vehicle can be implemented.Numerical examples for tandem tanks validate the present method and its necessity.展开更多
Elucidating the structure of large biomolecules such as multi-domain proteins or protein complexes is challenging due to their high flexibility in solution. Recently, an ＂integrative structural biology＂ approach has...Elucidating the structure of large biomolecules such as multi-domain proteins or protein complexes is challenging due to their high flexibility in solution. Recently, an ＂integrative structural biology＂ approach has been proposed, which aims to determine the protein structure and characterize protein flexibility by combining complementary high- and lowresolution experimental data using computer simulations. Small-angle x-ray scattering（SAXS） is an efficient technique that can yield low-resolution structural information, including protein size and shape. Here, we review computational methods that integrate SAXS with other experimental datasets for structural modeling. Finally, we provide a case study of determination of the structure of a protein complex formed between the tandem SH3 domains in c-Cb1-associated protein and the proline-rich loop in human vinculin.展开更多
在三维虚拟场景中进行灌区日常任务的模拟优化、设计分析更符合人们的认知习惯,能提供更丰富的展现手法与更多的信息量,可以弥补传统方法难以表达复杂、宏大场景、资金投入大、持续周期长等不足。综述了用来构建三维虚拟场景的技术,并...在三维虚拟场景中进行灌区日常任务的模拟优化、设计分析更符合人们的认知习惯,能提供更丰富的展现手法与更多的信息量,可以弥补传统方法难以表达复杂、宏大场景、资金投入大、持续周期长等不足。综述了用来构建三维虚拟场景的技术,并提出综合利用GIS(Geographic Information System)、RS(Remote Sensing)技术、虚拟现实技术,基于共享资源,采用数据融合、混合建模、交互式一体化建模等方法来构建灌区三维虚拟环境的技术路线。该技术路线较为简单、快捷,能充分利用、发挥共享资源的作用,不需要构建特殊硬软件环境就能满足灌区日常运行与管理的需求。构建的灌区三维虚拟场景对提升灌区服务管理水平与科学决策能力具有借鉴意义。展开更多
基金supported by grants from the National Natural Science Foundation of China (Grant Nos. 81830111 and 81774201)National Key Research and Development Program of China (2017YFC1702104 and 2017YFC1702303)+2 种基金the Youth Innovation Team of Shaanxi Universities and Shaanxi Provincial Science and Technology Department Project (No. 2016SF-378, China)the Fundamental Research Funds for the Central public Welfare Research Institutes (ZXKT17058, China)the National Science and Technology Major Project of China (2019ZX09201005-001-003)。
文摘Over the past decade,traditional Chinese medicine(TCM) has widely embraced systems biology and its various data integration approaches to promote its modernization.Thus,integrative pharmacology-based traditional Chinese medicine(TCMIP) was proposed as a paradigm shift in TCM.This review focuses on the presentation of this novel concept and the main research contents,methodologies and applications of TCMIP.First,TCMIP is an interdisciplinary science that can establish qualitative and quantitative pharmacokinetics-pharmacodynamics(PK-PD) correlations through the integration of knowledge from multiple disciplines and techniques and from different PK-PD processes in vivo.Then,the main research contents of TCMIP are introduced as follows:chemical and ADME/PK profiles of TCM formulas;confirming the three forms of active substances and the three action modes;establishing the qualitative PK-PD correlation;and building the quantitative PK-PD correlations,etc.After that,we summarize the existing data resources,computational models and experimental methods of TCMIP and highlight the urgent establishment of mathematical modeling and experimental methods.Finally,we further discuss the applications of TCMIP for the improvement of TCM quality control,clarification of the molecular mechanisms underlying the actions of TCMs and discovery of potential new drugs,especially TCM-related combination drug disco very.
基金supported by the National Special Funds for Astronautics(Grant No.51320103)China Academy of Launch Vehicle Technology for their financial support
文摘The coupling effects among lateral mode,longitudinal mode and torsional mode of a launch vehicle cannot be taken into account in traditional dynamic analysis using lateral beam model and longitudinal spring-mass model individually.To deal with the problem,propellant analogy methods based on beam model are proposed and coupled mass-matrix of liquid propellant is constructed through additional mass in the present study.Then an integrated model of launch vehicle for free vibration analysis is established,by which research on the interactions between longitudinal and lateral modes,longitudinal and torsional modes of the launch vehicle can be implemented.Numerical examples for tandem tanks validate the present method and its necessity.
基金Project supported by the National Key Basic Research Program of China(Grant Nos.2013CB910203 and 2011CB911104)the National Natural Science Foundation of China(Grant No.31270760)+1 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB08030102)the Specialized Research Fund for the Doctoral Program of Higher Education of China(Grant No.20113402120013)
文摘Elucidating the structure of large biomolecules such as multi-domain proteins or protein complexes is challenging due to their high flexibility in solution. Recently, an ＂integrative structural biology＂ approach has been proposed, which aims to determine the protein structure and characterize protein flexibility by combining complementary high- and lowresolution experimental data using computer simulations. Small-angle x-ray scattering（SAXS） is an efficient technique that can yield low-resolution structural information, including protein size and shape. Here, we review computational methods that integrate SAXS with other experimental datasets for structural modeling. Finally, we provide a case study of determination of the structure of a protein complex formed between the tandem SH3 domains in c-Cb1-associated protein and the proline-rich loop in human vinculin.
文摘在三维虚拟场景中进行灌区日常任务的模拟优化、设计分析更符合人们的认知习惯,能提供更丰富的展现手法与更多的信息量,可以弥补传统方法难以表达复杂、宏大场景、资金投入大、持续周期长等不足。综述了用来构建三维虚拟场景的技术,并提出综合利用GIS(Geographic Information System)、RS(Remote Sensing)技术、虚拟现实技术,基于共享资源,采用数据融合、混合建模、交互式一体化建模等方法来构建灌区三维虚拟环境的技术路线。该技术路线较为简单、快捷,能充分利用、发挥共享资源的作用,不需要构建特殊硬软件环境就能满足灌区日常运行与管理的需求。构建的灌区三维虚拟场景对提升灌区服务管理水平与科学决策能力具有借鉴意义。
