scholarly journals Can We Still Trust Docking Results? An Extension of the Applicability of DockBench on PDBbind Database

2019 ◽  
Vol 20 (14) ◽  
pp. 3558 ◽  
Author(s):  
Giovanni Bolcato ◽  
Alberto Cuzzolin ◽  
Maicol Bissaro ◽  
Stefano Moro ◽  
Mattia Sturlese
Keyword(s):  
Protein Complexes ◽  
Scoring Function ◽  
Data Bank ◽  
The Self ◽  
Protein Families ◽  
Docking Protocol ◽  
Multiple Structures ◽  
Huge Impact ◽  
Ligand Conformation

The number of entries in the Protein Data Bank (PDB) has doubled in the last decade, and it has increased tenfold in the last twenty years. The availability of an ever-growing number of structures is having a huge impact on the Structure-Based Drug Discovery (SBDD), allowing investigation of new targets and giving the possibility to have multiple structures of the same macromolecule in a complex with different ligands. Such a large resource often implies the choice of the most suitable complex for molecular docking calculation, and this task is complicated by the plethora of possible posing and scoring function algorithms available, which may influence the quality of the outcomes. Here, we report a large benchmark performed on the PDBbind database containing more than four thousand entries and seventeen popular docking protocols. We found that, even in protein families wherein docking protocols generally showed acceptable results, certain ligand-protein complexes are poorly reproduced in the self-docking procedure. Such a trend in certain protein families is more pronounced, and this underlines the importance in identification of a suitable protein–ligand conformation coupled to a well-performing docking protocol.

Self-Compassion and Quality of Life in Adults Who Stutter

2020 ◽  
Vol 29 (4) ◽  
pp. 2097-2108
Author(s):  
Robyn L. Croft ◽  
Courtney T. Byrd
Keyword(s):  
Quality Of Life ◽  
Social Connectedness ◽  
The Self ◽  
Future Research ◽  
Self Compassion ◽  
Adults Who Stutter ◽  
And Gender ◽  
Relationship Of ◽  
The Impact

Purpose The purpose of this study was to identify levels of self-compassion in adults who do and do not stutter and to determine whether self-compassion predicts the impact of stuttering on quality of life in adults who stutter. Method Participants included 140 adults who do and do not stutter matched for age and gender. All participants completed the Self-Compassion Scale. Adults who stutter also completed the Overall Assessment of the Speaker's Experience of Stuttering. Data were analyzed for self-compassion differences between and within adults who do and do not stutter and to predict self-compassion on quality of life in adults who stutter. Results Adults who do and do not stutter exhibited no significant differences in total self-compassion, regardless of participant gender. A simple linear regression of the total self-compassion score and total Overall Assessment of the Speaker's Experience of Stuttering score showed a significant, negative linear relationship of self-compassion predicting the impact of stuttering on quality of life. Conclusions Data suggest that higher levels of self-kindness, mindfulness, and social connectedness (i.e., self-compassion) are related to reduced negative reactions to stuttering, an increased participation in daily communication situations, and an improved overall quality of life. Future research should replicate current findings and identify moderators of the self-compassion–quality of life relationship.

The Vietnamese Version of the Health-related Quality of Life Measure for Children with Epilepsy (CHEQOL-25): Reliability

MedPharmRes ◽  
2017 ◽  
Vol 1 (1) ◽  
pp. 9-14
Author(s):  
Tri Doan ◽  
Tuan Tran ◽  
Han Nguyen ◽  
◽  
◽  
...  
Keyword(s):  
Quality Of Life ◽  
Good Practice ◽  
The Self ◽  
Self Report ◽  
Health Related Quality ◽  
Life Measure ◽  
Related Quality ◽  
Health Related ◽  
Parent Proxy

Purpose: This study aimed to translate and culturally adapt the self-report and parent-proxy Health-Related Quality of Life Measure for Children with Epilepsy (CHEQOL-25) into Vietnamese and to evaluate their reliability. Methods: Both English versions of the self-report and parent-proxy CHEQOL-25 were translated and culturally adapted into Vietnamese by using the Principles of Good Practice for the Translation and Cultural Adaptation Process. The Vietnamese versions were scored by 77 epileptic patients, who aged 8–15 years, and their parents/caregivers at neurology outpatient clinic of Children Hospital No. 2 – Ho Chi Minh City. Reliability of the questionnaires was determined by using Cronbach’s coefficient α and intra-class correlation coefficient (ICC). Results: Both Vietnamese versions of the self-report and parent-proxy CHEQOL-25 were shown to be consistent with the English ones, easy to understand for Vietnamese children and parents. Thus, no further modification was required. Cronbach’s α coefficient for each subscale of the Vietnamese version of the self-report and parent-proxy CHEQOL-25 was 0.65 to 0.86 and 0.83 to 0.86, respectively. The ICC for each subscale of the self-report and parent-proxy CHEQOL-25 was in the range of 0.61 to 0.86 and 0.77 to 0.98, respectively. Conclusion: The Vietnamese version of the self-report and parent-proxy CHEQOL-25 were the first questionnaires about quality of life of epileptic children in Vietnam. This Vietnamese version was shown to be reliable to assess the quality of life of children with epilepsy aged 8–15 years.

Manageable Self in the Early Hellenistic Era

2010 ◽  
Vol 39 (2) ◽  
pp. 34-36
Author(s):  
Vaia Touna
Keyword(s):  
Social Economic ◽  
Ancient Greece ◽  
The Self ◽  
Hellenistic Period ◽  
Political Conditions ◽  
The Individual

This paper argues that the rise of what is commonly termed "personal religion" during the Classic-Hellenistic period is not the result of an inner need or even quality of the self, as often argued by those who see in ancient Greece foreshadowing of Christianity, but rather was the result of social, economic, and political conditions that made it possible for Hellenistic Greeks to redefine the perception of the individual and its relationship to others.

Indicators of Sustainable Development of the Province of Warmia and Mazury in the Environmental Aspect

2016 ◽  
Vol 11 (3) ◽  
pp. 299-309
Author(s):  
Mirosława Witkowska-Dąbrowska
Keyword(s):  
Quality Of Life ◽  
Sustainable Development ◽  
Data Bank ◽  
Local Data ◽  
Indicator Method ◽  
Environmental Aspect ◽  
The Sustainable Development ◽  
Assessment Indicator ◽  
Area Unit

The purpose of this study has been to identify the degree of sustainability in the development of the Province of Warmia and Mazury. The theoretical and empirical investigations were conducted between 2003-2014 based on data from the Local Data Bank. Using a comparative indicator method, 20 indicators were developed, with different directions of preference. The evaluation involves the concept of uniform preference, hence the higher the assessment indicator, the better the situation in the evaluated area unit. Our studies on the sustainable development of the Province of Warmia and Mazury suggest that the indicators measuring the environmental dimension and consequently the quality of life of the residents (in this aspect) score higher than the country's average values. It is also optimistic that some progress, however small, can be seen in this area based on the analyzed dynamics of changes.

The Baroque and Philosophy

2018 ◽  
pp. 601-622
Author(s):  
Michael Moriarty
Keyword(s):  
Modern Philosophy ◽  
Early Modern ◽  
Visual Arts ◽  
Common Sense ◽  
The Self ◽  
Early Modern Philosophy ◽  
The World ◽  
Baroque Art ◽  
Art And Architecture

Although the concept “baroque” is less obviously applicable to philosophy than to the visual arts and music, early modern philosophy can be shown to have connections with baroque culture. Baroque style and rhetoric are employed or denounced in philosophical controversies, to license or discredit a certain style of philosophizing. Philosophers engage with themes current in baroque literature (the mad world, the world as a stage, the quest for the self) and occasionally transform these into philosophical problems, especially of an epistemological kind (are the senses reliable? how far is our access to reality limited by our perspective?) Finally, the philosophies of Malebranche and Berkeley, with their radical challenges to so-called common sense, and their explanation of conventional understandings of the world as based on illusion, have something of the disturbing quality of baroque art and architecture.

scholarly journals Family reported outcomes, an unmet need in the management of a patient's disease: appraisal of the literature

2021 ◽  
Vol 19 (1) ◽  
Author(s):  
R. Shah ◽  
F. M. Ali ◽  
A. Y. Finlay ◽  
M. S. Salek
Keyword(s):  
Quality Of Life ◽  
Family Members ◽  
Unmet Need ◽  
Reliability And Validity ◽  
Chronic Health Condition ◽  
Family Quality Of Life ◽  
Good Reliability ◽  
Huge Impact ◽  
The Impact

Abstract Background A person’s chronic health condition or disability can have a huge impact on the quality of life (QoL) of the whole family, but this important impact is often ignored. This literature review aims to understand the impact of patients' disease on family members across all medical specialities, and appraise existing generic and disease-specific family quality of life (QoL) measures. Methods The databases Medline, EMBASE, CINHAL, ASSIA, PsycINFO and Scopus were searched for original articles in English measuring the impact of health conditions on patients' family members/partner using a valid instrument. Results Of 114 articles screened, 86 met the inclusion criteria. They explored the impact of a relative's disease on 14,661 family members, mostly 'parents' or 'mothers', using 50 different instruments across 18 specialities including neurology, oncology and dermatology, in 33 countries including the USA, China and Australia. These studies revealed a huge impact of patients' illness on family members. An appraisal of family QoL instruments identified 48 instruments, 42 disease/speciality specific and six generic measures. Five of the six generics are aimed at carers of children, people with disability or restricted to chronic disease. The only generic instrument that measures the impact of any condition on family members across all specialities is the Family Reported Outcome Measure (FROM-16). Although most instruments demonstrated good reliability and validity, only 11 reported responsiveness and only one reported the minimal clinically important difference. Conclusions Family members' QoL is greatly impacted by a relative's condition. To support family members, there is a need for a generic tool that offers flexibility and brevity for use in clinical settings across all areas of medicine. FROM-16 could be the tool of choice, provided its robustness is demonstrated with further validation of its psychometric properties.

scholarly journals Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge

2021 ◽  
Vol 18 (2) ◽  
pp. 156-164 ◽  
Author(s):  
Catherine L. Lawson ◽  
Andriy Kryshtafovych ◽  
Paul D. Adams ◽  
Pavel V. Afonine ◽  
Matthew L. Baker ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Structure Data ◽  
Model Evaluation ◽  
Data Bank ◽  
High Accuracy ◽  
Atomic Resolution ◽  
Software Developers ◽  
Data Archives ◽  
Modeling Software

AbstractThis paper describes outcomes of the 2019 Cryo-EM Model Challenge. The goals were to (1) assess the quality of models that can be produced from cryogenic electron microscopy (cryo-EM) maps using current modeling software, (2) evaluate reproducibility of modeling results from different software developers and users and (3) compare performance of current metrics used for model evaluation, particularly Fit-to-Map metrics, with focus on near-atomic resolution. Our findings demonstrate the relatively high accuracy and reproducibility of cryo-EM models derived by 13 participating teams from four benchmark maps, including three forming a resolution series (1.8 to 3.1 Å). The results permit specific recommendations to be made about validating near-atomic cryo-EM structures both in the context of individual experiments and structure data archives such as the Protein Data Bank. We recommend the adoption of multiple scoring parameters to provide full and objective annotation and assessment of the model, reflective of the observed cryo-EM map density.

scholarly journals SAT0625-HPR FATIGUE AND CONTRIBUTING FACTORS IN CHINESE PATIENTS WITH ANKYLOSING SPONDYLITIS

2020 ◽  
Vol 79 (Suppl 1) ◽  
pp. 1272.2-1272
Author(s):  
W. Zhou ◽  
J. Guo ◽  
R. Zhao ◽  
C. Dong ◽  
Z. Gu
Keyword(s):  
Quality Of Life ◽  
Logistic Regression ◽  
Ankylosing Spondylitis ◽  
Sleep Quality ◽  
Binary Logistic Regression ◽  
The Self ◽  
Chinese Patients ◽  
Self Rating ◽  
Chi Square Analysis

Background:Ankylosing spondylitis (AS) is a systemic chronic inflammatory disease, which most likely occurs in young men. It mainly affects sacroiliac joints, axial skeleton, thoracic cage and seriously decreasing quality of life in AS patients[1,2]. In recent years, fatigue of AS patients has been paid more and more attention[3]. Fatigue is a complex feeling, diseased individuals describe fatigue as a sense of tiredness at rest, exhaustion with activity, lack of energy which affects daily work, inertia or lack of endurance, or as loss of vitality. It has been confirmed that fatigue is not only a symptom but may also be quantified by fatigue scores and can be modified by various measures depending on the underlying cause[4]. However, there has been no study about fatigue in AS patients in China.Objectives:This study aimed to evaluate the predictors of fatigue and the effects of fatigue on HR-QoL among patients with AS.Methods:A total of 150 AS patients were involved in the study. A series of questionnaires included: Bath Ankylosing Spondylitis Disease Activity Index (BASDAI), Bath Ankylosing Spondylitis Metrology Index (BASMI), Bath Ankylosing Spondylitis Functional Index (BASFI), the 10 cm Visual Analog Scale (VAS), the Self-Rating Anxiety Scale (SAS), the Self-Rating Depression Scale (SDS), the Pittsburgh Sleep Quality Index (PSQI), the Health Assessment Questionnaire-Disability Index (HAQ-DI), the Short Form 36 Health Survey (SF-36) and the Fatigue Severity Scale(FSS). Independent samples t-test, Mann–Whitney U-test, Chi-square analysis, Pearson /Spearman correlation and binary logistic regression were used to analyze the data.Results:The results demonstrated that 48.7% individuals with AS suffered from fatigue. Compared with AS patients without fatigue, AS patients with fatigue showed higher WHR(P<0.05), increased BASDAI (P<0.01) and poorer BASFI (P<0.05). Meanwhile, AS patients with fatigue tended to have more severe pain(P<0.05), higher degree of anxiety(P=0.001), more serious functional disability(P=0.001) and worse sleep quality(P=0.001). Binary logistic regression indicated that WHR (OR=1.78,P<0.05), BASDAI (OR=1.34,P=0.01), sleep disturbance (OR=2.35,P<0.05) were independent predictors of fatigue in AS patients. Additionally, the occurrence of fatigue significantly reduced the quality of life in AS patients both physically and psychologically.Conclusion:These findings suggested that medical personnel should pay more attention to AS patients with fatigue and take effective measures to relieve fatigue.References:[1]Law L, Beckman Rehnman J, Deminger A, Klingberg E, Jacobsson LTH, Forsblad-d’Elia H (2018) Factors related to health-related quality of life in ankylosing spondylitis, overall and stratified by sex. Arthritis research & therapy 20 (1):284. doi:10.1186/s13075-018-1784-8[2]Hanson A, Brown MA (2017) Genetics and the Causes of Ankylosing Spondylitis. Rheumatic diseases clinics of North America 43 (3):401-414. doi:10.1016/j.rdc.2017.04.006[3]Ulus Y, Akyol Y, Bilgici A, Kuru O (2019) Association of work instability with fatigue and emotional status in patients with ankylosing spondylitis: comparison with healthy controls. Clinical rheumatology 38 (4):1017-1024. doi:10.1007/s10067-018-4366-x[4]Finsterer J, Mahjoub SZ (2014) Fatigue in healthy and diseased individuals. The American journal of hospice & palliative care 31 (5):562-575. doi:10.1177/1049909113494748Acknowledgments:Thanks to all the authors for their efforts and thanks to all members of the Department of Rheumatology of Affiliated Hospital of Nantong University for their helpfulness in the acquisition of data.Disclosure of Interests:None declared

Development of the National System of Qualifi cation Certifi cation of Audit Personnel As a Factor in Improving the Quality of Audit and the Demand for the Profession

Auditor ◽  
2021 ◽  
pp. 24-28
Author(s):  
Nataliya Kazakova
Keyword(s):  
Russian Federation ◽  
Audit Quality ◽  
The Self ◽  
National System ◽  
Regular Monitoring ◽  
The Russian Federation ◽  
The Creation ◽  
June July ◽  
Regulatory Organization

The article includes materials presented at the scientifi c and practical conferences «Problems of Audit Quality» organized by the Self-regulatory organization of Auditors «Sodruzhestvo» in June-July 2021. Th e conferences are dedicated to the development of audit education and qualifi cation certifi cation of audit personnel in the Russian Federation, aimed at improving the quality of audit through the introduction of a competence-based approach and the creation of a national system for regular monitoring of auditor’s competencies, contributing to the training of broad-based specialists in demand in various areas of economic, business and fi nancial management.

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