共查询到18条相似文献,搜索用时 140 毫秒
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目的:为提高生物化学教学质量提供参考。方法:研发生物化学虚拟实验教学系统,并分析该系统对学生学习兴趣和教学水平的影响。结果:笔者利用网络平台开发了生物化学虚拟实验教学系统,并在教师和学生中进行了试用。教师管理模块实现了教师对实验项目的宏观管理和监控;学生实验模块可实现实验演示及网上实验等功能。结论:教学反馈表明,生物化学虚拟实验教学系统增强并扩展了传统教学模式,以全新的方式将学生、实验仪器及实验项目紧密联系起来,拓宽了学生的知识面,加强了学生之间的相互合作交流,激发了学生的学习热情,提高了学习兴趣,具有助教、助学双重功能。 相似文献
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Simcyp公司是英国一家虚拟体药代动力学模型及模拟装置平台的开发商。它已将用于insilico预测药物动力学的“虚拟实验大鼠”投放市场。Simcyp大鼠2008将模拟化合物是如何在体内吸收、分布、代谢和排泄的,以了解在实际情况下药物的动态。 相似文献
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医学实验是中等职业医学教育的一个重要组成部分,是培养实用型、复合型人才的重要方法之一。传统的实验教学已经不能满足新形势下的教学要求,从而面临各种各样的问题。虚拟实验教学系统是运用虚拟现实技术模拟真实实验情境软件。用仿真软件组建的虚拟实验室,在实践教学中有益于开拓实验路径,增加学生动手实践机会,是传统实验教学的重要变革。 相似文献
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TS‐Chemscore,a Target‐Specific Scoring Function,Significantly Improves the Performance of Scoring in Virtual Screening 下载免费PDF全文
Wen‐Jing Wang Qi Huang Jun Zou Lin‐Li Li Sheng‐Yong Yang 《Chemical biology & drug design》2015,86(1):1-8
Most of the scoring functions currently used in structure‐based drug design belong to ‘universal’ scoring functions, which often give a poor correlation between the calculated scores and experimental binding affinities. In this investigation, we proposed a simple strategy to construct target‐specific scoring functions based on known ‘universal’ scoring functions. This strategy was applied to Chemscore, a widely used empirical scoring function, which led to a new scoring function, termed TS‐Chemscore. TS‐Chemscore was validated on 14 protein targets, which cover a wide range of biological target categories. The results showed that TS‐Chemscore significantly improved the correlation between the calculated scores and experimental binding affinities compared with the original Chemscore. TS‐Chemscore was then applied in virtual screening to retrieve novel JAK3 and YopH inhibitors. Top 30 compounds for each target were selected for experimental validation. Six active compounds for JAK3 and four for YopH were obtained. These compounds were out of the lists of top 30 compounds sorted by Chemscore. Collectively, TS‐Chemscore established in this study showed a better performance in virtual screening than its counterpart Chemscore. 相似文献
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Tarek Haddad Laura Thompson Telba Irony Rajesh Nair on Behalf of MDIC Computer Modeling Simulation Working Group Participants 《Journal of biopharmaceutical statistics》2017,27(6):1089-1103
Evaluation of medical devices via clinical trial is often a necessary step in the process of bringing a new product to market. In recent years, device manufacturers are increasingly using stochastic engineering models during the product development process. These models have the capability to simulate virtual patient outcomes. This article presents a novel method based on the power prior for augmenting a clinical trial using virtual patient data. To properly inform clinical evaluation, the virtual patient model must simulate the clinical outcome of interest, incorporating patient variability, as well as the uncertainty in the engineering model and in its input parameters. The number of virtual patients is controlled by a discount function which uses the similarity between modeled and observed data. This method is illustrated by a case study of cardiac lead fracture. Different discount functions are used to cover a wide range of scenarios in which the type I error rates and power vary for the same number of enrolled patients. Incorporation of engineering models as prior knowledge in a Bayesian clinical trial design can provide benefits of decreased sample size and trial length while still controlling type I error rate and power. 相似文献
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目的开发普及型电子药历软件,促进合理用药。方法以编程软件开发,通过实际病例操作观察其在合理用药中的作用结果成功开发了符合要求的电子药历,在通用性、弥补临床药师知识面的不足、作为系统性研究平台、协助医师合理用药、信息共享方面有较大优势。结论作为一种能被广泛普及的电子药历,将促进已开展临床药学工作而信息化水平不高的医院临床药学的发展,值得推广应用。 相似文献
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Michael A. Smith Rima A. Mohammad Neal Benedict 《American journal of pharmaceutical education》2014,78(6)
Objective. To assess student satisfaction and learning of course objectives following the integration of virtual patient cases designed to promote active, patient-centered learning in an advanced therapeutics pharmacy course.Design. A dynamic virtual patient platform that incorporated a branched-narrative, decision-making teaching model was used in an advanced therapeutics course to supplement lecture content.Assessment. Presimulation and postsimulation tests were used to assess student learning. The use of virtual patients significantly enhanced student learning for both higher- and lower-level test questions (p<0.001 and p=0.01, respectively). Students agreed or strongly agreed that the virtual patient cases provided an effective way to learn (72%), were enjoyable (69%), and were appropriate in content (80%), and that more should be incorporated (59%).Conclusion. The use of virtual patients in an advanced therapeutics practicum effectively promoted active, patient-centered learning; engaged students in an interactive and dynamic educational technology; encouraged teamwork; enhanced higher-level student learning; and improved student satisfaction in the course. 相似文献
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《Expert opinion on drug discovery》2013,8(8):853-866
Background: For > 30 years, the estrogen receptor (ER) has been the most important biomarker in breast cancer, principally because of its role in indicating the potential of patients to benefit from endocrine therapy. The search for modulators of ER (selective estrogen receptor modulators) through the use of computational methods such as virtual screening (VS) has redefined the area. Objective: We demonstrate how this receptor has become a key target in the computational (docking and scoring, pharmacophore) arena for algorithm development and validation. The use of quantitative structure–activity relationship for estimation of binding affinity to ER is also discussed, and finally all examples of lead identification through VS are exemplified using several VS campaigns carried out to identify environmental endocrine disruptors. Method: This review comprehensively details all current applications of virtual screening to the estrogen receptor and demonstrates how its use has pushed the boundaries of VS in general. Conclusion: The widespread application of the estrogen receptor to VS has allowed identification of numerous pitfalls within the process flow of VS such as library generation, correct validation procedures for docking/scoring functions, and inclusion of receptor flexibility. 相似文献
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Mahmoud E. S. Soliman 《Drug development research》2013,74(5):283-295
Preclinical Research |
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Evaluating the Predictivity of Virtual Screening for Abl Kinase Inhibitors to Hinder Drug Resistance
Osman A. B. S. M. Gani Dilip Narayanan Richard A. Engh 《Chemical biology & drug design》2013,82(5):506-519
Virtual screening methods are now widely used in early stages of drug discovery, aiming to rank potential inhibitors. However, any practical ligand set (of active or inactive compounds) chosen for deriving new virtual screening approaches cannot fully represent all relevant chemical space for potential new compounds. In this study, we have taken a retrospective approach to evaluate virtual screening methods for the leukemia target kinase ABL1 and its drug‐resistant mutant ABL1‐T315I. ‘Dual active’ inhibitors against both targets were grouped together with inactive ligands chosen from different decoy sets and tested with virtual screening approaches with and without explicit use of target structures (docking). We show how various scoring functions and choice of inactive ligand sets influence overall and early enrichment of the libraries. Although ligand‐based methods, for example principal component analyses of chemical properties, can distinguish some decoy sets from active compounds, the addition of target structural information via docking improves enrichment, and explicit consideration of multiple target conformations (i.e. types I and II) achieves best enrichment of active versus inactive ligands, even without assuming knowledge of the binding mode. We believe that this study can be extended to other therapeutically important kinases in prospective virtual screening studies. 相似文献