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https://www.readbyqxmd.com/read/29241118/plhint-a-knowledge-driven-computational-approach-based-on-the-intermolecular-h-bond-interactions-at-the-protein-ligand-interface-from-docking-solutions
#1
Sivakumar Prasanth Kumar
The tendency of docking scoring functions to generate crystal close conformations of ligands bound to protein structures face limitations in not reproducing the exact crystal intermolecular contacts in dock poses. Intermolecular H bond contacts enumerated at the protein-docked ligand interface can be used to train scoring models and improve virtual screening performance. There is a need to incorporate additional knowledge of protein-ligand H bond contacts in extension to crystal contacts from docking solutions within the reproducibility efficiency of the docking program...
December 6, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29238511/health-information-technology-and-health-care-activists-where-is-the-place-of-iranians
#2
Mobina Ghoochani, Mehdi Kahouei, Morteza Hemmat, Hesamedin Askari Majdabadi, Ali Valinejadi
Background: The level of knowledge and using health information technology by clinicians, students and staff has always been one of the essential issues in the field of health. Objective: The objective of the present study was to evaluate HIT knowledge, attitude, and practice habits among health care professionals and students in educational hospitals in Iran. Methods: This case study was carried out in 2016 on 539 personnel of 65 educational hospitals in Iran entailing three subgroups of physicians (n=128), medical students (n=97), and health record staff (n=314)...
October 2017: Electronic Physician
https://www.readbyqxmd.com/read/29238447/telerehabilitation-feasibility-in-total-joint-replacement
#3
Mark J Nelson, Kay M Crossley, Michael G Bourke, Trevor G Russell
Despite documented benefits, many Total Joint Replacement (TJR) patients find it difficult to access rehabilitation following discharge from hospital. One solution to improve access for TJR patients is telerehabilitation. This study aimed to assess the feasibility of introducing a telerehabilitation program for TJR patients. TJR patients at QEII Jubilee Hospital were invited to complete a questionnaire regarding their access, feelings towards and preferences in using technology. Seventy-five patients were recruited...
2017: International Journal of Telerehabilitation
https://www.readbyqxmd.com/read/29237888/haldane-waddington-and-recombinant-inbred-lines-extension-of-their-work-to-any-number-of-genes
#4
Areejit Samal, Olivier C Martin
In the early 1930s, J. B. S. Haldane and C. H. Waddington collaborated on the consequences of genetic linkage and inbreeding. One elegant mathematical genetics problem solved by them concerns recombinant inbred lines (RILs) produced via repeated self or brother-sister mating. In this classic contribution, Haldane and Waddington derived an analytical formula for the probabilities of 2-locus and 3-locus RIL genotypes. Specifically, the Haldane-Waddington formula gives the recombination rate R in such lines as a simple function of the per generation recombination rate r...
November 2017: Journal of Genetics
https://www.readbyqxmd.com/read/29237579/usage-pattern-differences-and-similarities-of-mobile-electronic-medical-records-among-health-care-providers
#5
Yura Lee, Yu Rang Park, Junetae Kim, Jeong Hoon Kim, Woo Sung Kim, Jae-Ho Lee
BACKGROUND: Recently, many hospitals have introduced mobile electronic medical records (mEMRs). Although numerous studies have been published on the usability or usage patterns of mEMRs through user surveys, investigations based on the real data usage are lacking. OBJECTIVE: Asan Medical Center, a tertiary hospital in Seoul, Korea, implemented an mEMR program in 2010. On the basis of the mEMR usage log data collected over a period of 4.5 years, we aimed to identify a usage pattern and trends in accordance with user occupation and to disseminate the factors that make the mEMR more effective and efficient...
December 13, 2017: JMIR MHealth and UHealth
https://www.readbyqxmd.com/read/29236971/new-algorithms-to-represent-complex-pseudoknotted-rna-structures-in-dot-bracket-notation
#6
Maciej Antczak, Mariusz Popenda, Tomasz Zok, Michal Zurkowski, Ryszard W Adamiak, Marta Szachniuk
Motivation: Understanding the formation, architecture, and roles of pseudoknots in RNA structures are one of the most difficult challenges in RNA computational biology and structural bioinformatics. Methods predicting pseudoknots typically perform this with poor accuracy, often despite experimental data incorporation. Existing bioinformatic approaches differ in terms of pseudoknots' recognition and revealing their nature. A few ways of pseudoknot classification exist, most common ones refer to a genus or order...
December 11, 2017: Bioinformatics
https://www.readbyqxmd.com/read/29235070/predpsych-a-toolbox-for-predictive-machine-learning-based-approach-in-experimental-psychology-research
#7
Atesh Koul, Cristina Becchio, Andrea Cavallo
Recent years have seen an increased interest in machine learning-based predictive methods for analyzing quantitative behavioral data in experimental psychology. While these methods can achieve relatively greater sensitivity compared to conventional univariate techniques, they still lack an established and accessible implementation. The aim of current work was to build an open-source R toolbox - "PredPsych" - that could make these methods readily available to all psychologists. PredPsych is a user-friendly, R toolbox based on machine-learning predictive algorithms...
December 12, 2017: Behavior Research Methods
https://www.readbyqxmd.com/read/29233237/medical-implications-of-space-radiation-exposure-due-to-low-altitude-polar-orbits
#8
Jeffery C Chancellor, Serena M Auñon-Chancellor, John Charles
INTRODUCTION: Space radiation research has progressed rapidly in recent years, but there remain large uncertainties in predicting and extrapolating biological responses to humans. Exposure to cosmic radiation and solar particle events (SPEs) may pose a critical health risk to future spaceflight crews and can have a serious impact on all biomedical aspects of space exploration. The relatively minimal shielding of the cancelled 1960s Manned Orbiting Laboratory (MOL) program's space vehicle and the high inclination polar orbits would have left the crew susceptible to high exposures of cosmic radiation and high dose-rate SPEs that are mostly unpredictable in frequency and intensity...
January 1, 2018: Aerospace Medicine and Human Performance
https://www.readbyqxmd.com/read/29233173/the-importance-of-health-behaviours-in-childhood-for-the-development-of-internalizing-disorders-during-adolescence
#9
Xiu Yun Wu, Sara F L Kirk, Arto Ohinmaa, Paul J Veugelers
BACKGROUND: Poor mental health constitutes a considerable global public health burden with approximately half of all cases of poor mental health having their onset before the age of 14 years. The identification of modifiable risk factors early in life is therefore essential to prevention, however, there are presently very few longitudinal studies on health behaviours for mental health to inform public health decision makers and to justify preventive action. We examined the importance of diet quality, physical activity (PA) and sedentary behaviours in childhood for internalizing disorder throughout adolescence...
December 12, 2017: BMC Psychology
https://www.readbyqxmd.com/read/29233155/a-meta-model-for-computer-executable-dynamic-clinical-safety-checklists
#10
Shan Nan, Pieter Van Gorp, Xudong Lu, Uzay Kaymak, Hendrikus Korsten, Richard Vdovjak, Huilong Duan
BACKGROUND: Safety checklist is a type of cognitive tool enforcing short term memory of medical workers with the purpose of reducing medical errors caused by overlook and ignorance. To facilitate the daily use of safety checklists, computerized systems embedded in the clinical workflow and adapted to patient-context are increasingly developed. However, the current hard-coded approach of implementing checklists in these systems increase the cognitive efforts of clinical experts and coding efforts for informaticists...
December 12, 2017: BMC Medical Informatics and Decision Making
https://www.readbyqxmd.com/read/29233120/prediction-of-5-year-overall-survival-in-cervical-cancer-patients-treated-with-radical-hysterectomy-using-computational-intelligence-methods
#11
Bogdan Obrzut, Maciej Kusy, Andrzej Semczuk, Marzanna Obrzut, Jacek Kluska
BACKGROUND: Computational intelligence methods, including non-linear classification algorithms, can be used in medical research and practice as a decision making tool. This study aimed to evaluate the usefulness of artificial intelligence models for 5-year overall survival prediction in patients with cervical cancer treated by radical hysterectomy. METHODS: The data set was collected from 102 patients with cervical cancer FIGO stage IA2-IIB, that underwent primary surgical treatment...
December 12, 2017: BMC Cancer
https://www.readbyqxmd.com/read/29229946/find_tfsbp-find-thermodynamics-feasible-and-smallest-balanced-pathways-with-high-yield-from-large-scale-metabolic-networks
#12
Zixiang Xu, Jibin Sun, Qiaqing Wu, Dunming Zhu
Biologically meaningful metabolic pathways are important references in the design of industrial bacterium. At present, constraint-based method is the only way to model and simulate a genome-scale metabolic network under steady-state criteria. Due to the inadequate assumption of the relationship in gene-enzyme-reaction as one-to-one unique association, computational difficulty or ignoring the yield from substrate to product, previous pathway finding approaches can't be effectively applied to find out the high yield pathways that are mass balanced in stoichiometry...
December 11, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29229631/update-on-electronic-dental-record-and-clinical-computing-adoption-among-dental-practices-in-the-united-states
#13
Amit Acharya, Dixie Schroeder, Kelsey Schwei, Po-Huang Chyou
The study sought to re-characterize trends and factors affecting electronic dental record (EDR) and technologies adoption by dental practices and the impact of the Health Information Technology for Economic and Clinical Health (HITECH) act on adoption rates through 2012. A 39-question survey was disseminated nationally over 3 months using a novel, statistically-modeled approach informed by early response rates to achieve a predetermined sample. EDR adoption rate for clinical support was 52%. Adoption rates were higher among: 1) younger dentists; 2) dentists ≤ 15 years in practice; 3) females; and 4) group practices...
December 11, 2017: Clinical Medicine & Research
https://www.readbyqxmd.com/read/29228280/new-intronic-fibroblast-growth-factor-receptor-1-fgfr1-mutation-leading-to-disrupted-splicing-and-kallmann-syndrome
#14
J Känsäkoski, K Vaaralahti, T Raivio
Congenital hypogonadotropic hypogonadism (CHH), which can present with a defective sense of smell (Kallmann syndrome, KS), is a clinically and genetically heterogeneous disorder. Over 31 genes have been associated with CHH, but most of the patients still lack a molecular genetic diagnosis. Some cases may be explained by mutations that disrupt the splicing of already established CHH genes but that are unrecognized either because they are located deep in introns or are not predicted to disrupt splicing. Here we identified a patient with a previously unreported Fibroblast Growth Factor Receptor 1 (FGFR1) mutation, c...
December 8, 2017: Human Reproduction
https://www.readbyqxmd.com/read/29228186/aether-leveraging-linear-programming-for-optimal-cloud-computing-in-genomics
#15
Jacob M Luber, Braden T Tierney, Evan M Cofer, Chirag J Patel, Aleksandar D Kostic
Motivation: Across biology we are seeing rapid developments in scale of data production without a corresponding increase in data analysis capabilities. Results: Here, we present Aether (http://aether.kosticlab.org), an intuitive, easy-to-use, cost-effective, and scalable framework that uses linear programming (LP) to optimally bid on and deploy combinations of underutilized cloud computing resources. Our approach simultaneously minimizes the cost of data analysis and provides an easy transition from users' existing HPC pipelines...
December 8, 2017: Bioinformatics
https://www.readbyqxmd.com/read/29227469/integrative-single-cell-analysis-of-transcriptional-and-epigenetic-states-in-the-human-adult-brain
#16
Blue B Lake, Song Chen, Brandon C Sos, Jean Fan, Gwendolyn E Kaeser, Yun C Yung, Thu E Duong, Derek Gao, Jerold Chun, Peter V Kharchenko, Kun Zhang
Detailed characterization of the cell types in the human brain requires scalable experimental approaches to examine multiple aspects of the molecular state of individual cells, as well as computational integration of the data to produce unified cell-state annotations. Here we report improved high-throughput methods for single-nucleus droplet-based sequencing (snDrop-seq) and single-cell transposome hypersensitive site sequencing (scTHS-seq). We used each method to acquire nuclear transcriptomic and DNA accessibility maps for >60,000 single cells from human adult visual cortex, frontal cortex, and cerebellum...
December 11, 2017: Nature Biotechnology
https://www.readbyqxmd.com/read/29226660/bone-and-joint-diseases-in-present-and-future
#17
Yasuharu Nakashima, Ken Okazak, Koichiet Nakayama, Seiji Okada, Hideki Mizu-uchi
With the increase of elderly population, orthopaedic surgeons need to deal with the diseases related to aging, such as joint disorders and fragility fractures. The number of total joint replacements, for example, is two times more than it was 10 years ago. With these backgrounds, the Japanese Orthopaedic Association (JOA) has proposed the concept of locomotive syndrome; conditions under which the elderly have been receiving care services due to problems of the locomotive organs. To prevent geriatric or disuse syndrome, JOA is currently providing the care‒prevention programs such as the loco-check and loco-training...
January 2017: Fukuoka Igaku Zasshi, Hukuoka Acta Medica
https://www.readbyqxmd.com/read/29226050/determinants-of-computed-tomography-head-scan-ordering-for-patients-with-low-risk-headache-in-the-emergency-department
#18
Meaghan J Mackenzie, Rashi Hiranandani, Dongmei Wang, Tak Fung, Eddy Lang
Background Many specialty societies have found that neuroimaging in headache is a low-value intervention for benign presentations. This study describes factors that influence Emergency Room (ER) physicians' adherence to Choosing Wisely (CW) recommendations for low-risk headache patients presenting to Calgary's Emergency Departments (EDs). Emergency medicine has yet to address imaging in headache as a CW topic; however, this study may inform that decision. Methods Data were retrospectively collected for all patients presenting to Calgary EDs with headaches from April 1, 2014 to March 31, 2016...
October 9, 2017: Curēus
https://www.readbyqxmd.com/read/29225899/a-cluster-randomized-controlled-trial-for-child-and-parent-weight-management-children-and-parents-randomized-to-the-intervention-group-have-correlated-changes-in-adiposity
#19
Diane C Berry, Robert G McMurray, Todd A Schwartz, Emily G Hall, Madeline N Neal, Reuben Adatorwover
Background: Studies have suggested that obesity is linked within families and that successful interventions involve both the parent and child with obesity. However little information exists regarding similarities in adiposity and weight loss between the parent and child, especially in low socio-economic ethnically diverse households. Methods: The purpose of this study was to examine the relationships between the changes from baseline over time in adiposity, weight, health behaviors, and self-efficacy in children (n = 184) and parents (n = 184) participating in an 18-month weight loss program...
2017: BMC Obesity
https://www.readbyqxmd.com/read/29225375/folded-concave-penalized-sparse-linear-regression-sparsity-statistical-performance-and-algorithmic-theory-for-local-solutions
#20
Hongcheng Liu, Tao Yao, Runze Li, Yinyu Ye
This paper concerns the folded concave penalized sparse linear regression (FCPSLR), a class of popular sparse recovery methods. Although FCPSLR yields desirable recovery performance when solved globally, computing a global solution is NP-complete. Despite some existing statistical performance analyses on local minimizers or on specific FCPSLR-based learning algorithms, it still remains open questions whether local solutions that are known to admit fully polynomial-time approximation schemes (FPTAS) may already be sufficient to ensure the statistical performance, and whether that statistical performance can be non-contingent on the specific designs of computing procedures...
November 2017: Mathematical Programming
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