keyword
MENU ▼
Read by QxMD icon Read
search

POSE Running

keyword
https://www.readbyqxmd.com/read/28913782/docking-of-small-molecules-to-farnesoid-x-receptors-using-autodock-vina-with-the-convex-pl-potential-lessons-learned-from-d3r-grand-challenge-2
#1
Maria Kadukova, Sergei Grudinin
The 2016 D3R Grand Challenge 2 provided an opportunity to test multiple protein-ligand docking protocols on a set of ligands bound to farnesoid X receptor that has many available experimental structures. We participated in the Stage 1 of the Challenge devoted to the docking pose predictions, with the mean RMSD value of our submission poses of 2.9 Å. Here we present a thorough analysis of our docking predictions made with AutoDock Vina and the Convex-PL rescoring potential by reproducing our submission protocol and running a series of additional molecular docking experiments...
September 14, 2017: Journal of Computer-aided Molecular Design
https://www.readbyqxmd.com/read/28902511/exploring-the-stability-of-ligand-binding-modes-to-proteins-by-molecular-dynamics-simulations-a-cross-docking-study
#2
Kai Liu, Hironori Kokubo
Docking has become an indispensable approach in drug discovery research to predict the binding mode of a ligand. One great challenge in docking is to efficiently refine the correct pose from various putative docking poses through score functions. We recently examined the stability of self-docking poses under molecular dynamics (MD) simulations and showed that equilibrium MD simulations have some capability to discriminate between correct and decoy poses. Here, we have extended our previous work to cross-docking studies for practical applications...
September 13, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28895578/challenges-in-comprehensive-management-of-spinal-cord-injury-in-india-and-in-the-asian-spinal-cord-network-region-findings-of-a-survey-of-experts-patients-and-consumers
#3
H S Chhabra, S Sharma, M Arora
STUDY DESIGN: Online survey. OBJECTIVES: To understand the prevailing scenario of the comprehensive management of spinal cord injuries (SCI) in India and in the Asian Spinal Cord Network (ASCoN) region, especially with a view to document the challenges faced and its impact. SETTING: Indian Spinal Injuries Centre. METHODS: A questionnaire was designed which covered various aspects of SCI management. Patients, consumers (spinal injured patients discharged since at least 1 year) and experts in SCI management from different parts of India and the ASCoN region were approached to complete the survey...
September 12, 2017: Spinal Cord
https://www.readbyqxmd.com/read/28880549/binding-and-release-between-polymeric-carrier-and-protein-drug-ph-mediated-interplay-of-coulomb-forces-hydrogen-bonding-van-der-waals-interactions-and-entropy
#4
Sergio De Luca, Fan Chen, Prasenjit Seal, Martina H Stenzel, Sean C Smith
The accelerating search for new types of drugs and delivery strategies poses the challenge to understand the mechanism of delivery. To this end, a detailed atomistic picture of binding between the drug and the carrier is quintessential. While many studies focus on the electrostatics of drug-vector interactions, it has also been pointed out that entropic factors relating to water and counter ions can play an important role. By carrying out extensive molecular dynamics simulations and subsequently validating with experiment, we shed light herein on the binding in aqueous solution between a protein drug and a polymeric carrier...
September 7, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/28830236/testing-many-treatments-within-a-single-protocol-over-10%C3%A2-years-at-mrc-clinical-trials-unit-at-ucl-multi-arm-multi-stage-platform-umbrella-and-basket-protocols
#5
Mahesh Kb Parmar, Fay H Cafferty, Matthew R Sydes, Babak Choodari-Oskooei, Ruth E Langley, Louise Brown, Patrick Pj Phillips, Melissa R Spears, Sam Rowley, Richard Kaplan, Nicholas D James, Timothy Maughan, Nicholas Paton, Patrick J Royston
BACKGROUND: There is real need to change how we do some of our clinical trials, as currently the testing and development process is too slow, too costly and too failure-prone - often we find that a new treatment is no better than the current standard. PURPOSE AND METHODS: Much of the focus on the development and testing pathway has been in improving the design of phase I and II trials. In this paper we present examples of new methods for improving the design of phase III trials (and the necessary lead up to them) as they are the most time-consuming and expensive part of the pathway...
August 1, 2017: Clinical Trials: Journal of the Society for Clinical Trials
https://www.readbyqxmd.com/read/28797548/efficient-and-robust-cell-detection-a-structured-regression-approach
#6
Yuanpu Xie, Fuyong Xing, Xiaoshuang Shi, Xiangfei Kong, Hai Su, Lin Yang
Efficient and robust cell detection serves as a critical prerequisite for many subsequent biomedical image analysis methods and computer-aided diagnosis (CAD). It remains a challenging task due to touching cells, inhomogeneous background noise, and large variations in cell sizes and shapes. In addition, the ever-increasing amount of available datasets and the high resolution of whole-slice scanned images pose a further demand for efficient processing algorithms. In this paper, we present a novel structured regression model based on a proposed fully residual convolutional neural network for efficient cell detection...
July 26, 2017: Medical Image Analysis
https://www.readbyqxmd.com/read/28755474/controlling-localization-of-escherichia-coli-populations-using-a-two-part-synthetic-motility-circuit-an-accelerator-and-brake
#7
Ryan McKay, Pricila Hauk, Hsuan-Chen Wu, Alex Eli Pottash, Wu Shang, Jessica Terrell, Gregory F Payne, William E Bentley
Probiotics, whether taken as capsules or consumed in foods, have been regarded as safe for human use by regulatory agencies. Being living cells, they serve as "tunable" factories for the synthesis of a vast array of beneficial molecules. The idea of reprogramming probiotics to act as controllable factories, producing potential therapeutic molecules under user-specified conditions, represents a new and powerful concept in drug synthesis and delivery. Probiotics that serve as drug delivery vehicles pose several challenges, one being targeting (as seen with nanoparticle approaches)...
July 29, 2017: Biotechnology and Bioengineering
https://www.readbyqxmd.com/read/28746386/tracmit-an-effective-pipeline-for-tracking-and-analyzing-cells-on-micropatterns-through-mitosis
#8
Olivier Burri, Benita Wolf, Arne Seitz, Pierre Gönczy
The use of micropatterns has transformed investigations of dynamic biological processes by enabling the reproducible analysis of live cells using time-lapse fluorescence microscopy. With micropatterns, thousands of individual cells can be efficiently imaged in parallel, rendering the approach well suited for screening projects. Despite being powerful, such screens remain challenging in terms of data handling and analysis. Typically, only a fraction of micropatterns is occupied in a manner suitable to monitor a given phenotypic output...
2017: PloS One
https://www.readbyqxmd.com/read/28711845/the-impact-of-synoptic-circulation-on-air-quality-and-pollution-related-human-health-in-the-yangtze-river-delta-region
#9
Zhiheng Liao, Meng Gao, Jiaren Sun, Shaojia Fan
PM2.5 and O3 pollution are of concern for the Yangtze River Delta (YRD) region due to their adverse impact on human health. In conjunction with a complex distribution of emission sources, the synoptic circulation conditions control the temporal and spatial variability of air pollution levels and hence the pollution-related health burdens. In this study, a long-term synoptic circulation catalogue is developed by applying the automated Lamb weather type method to the ECMWF mean sea level pressure reanalysis for the YRD region during 2013-2016...
December 31, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28710977/assessing-the-toxicity-and-risk-of-salt-impacted-winter-road-runoff-to-the-early-life-stages-of-freshwater-mussels-in-the-canadian-province-of-ontario
#10
R S Prosser, Q Rochfort, R McInnis, K Exall, P L Gillis
In temperate urbanized areas where road salting is used for winter road maintenance, the level of chloride in surface waters has been increasing. While a number of studies have shown that the early-life stages of freshwater mussels are particularly sensitive to salt; few studies have examined the toxicity of salt-impacted winter road runoff to the early-life stages of freshwater mussels to confirm that chloride is the driver of toxicity in this mixture. This study examines the acute toxicity of field-collected winter road runoff to the glochidia of wavy-rayed lampmussels (Lampsilis fasciola) (48 h exposure) and newly released juvenile fatmucket mussels (Lampsilis siliquoidea) (<1 week old; 96 h exposure) under different water hardness...
November 2017: Environmental Pollution
https://www.readbyqxmd.com/read/28693467/predicting-rna-hyper-editing-with-a-novel-tool-when-unambiguous-alignment-is-impossible
#11
Wilson H McKerrow, Yiannis A Savva, Ali Rezaei, Robert A Reenan, Charles E Lawrence
BACKGROUND: Repetitive elements are now known to have relevant cellular functions, including self-complementary sequences that form double stranded (ds) RNA. There are numerous pathways that determine the fate of endogenous dsRNA, and misregulation of endogenous dsRNA is a driver of autoimmune disease, particularly in the brain. Unfortunately, the alignment of high-throughput, short-read sequences to repeat elements poses a dilemma: Such sequences may align equally well to multiple genomic locations...
July 10, 2017: BMC Genomics
https://www.readbyqxmd.com/read/28682063/history-matters-pre-exposure-to-wastewater-enhances-pesticide-toxicity-in-invertebrates
#12
Jochen P Zubrod, Dominic Englert, Simon Lüderwald, Sandra Poganiuch, Ralf Schulz, Mirco Bundschuh
Disturbance regimes determine communities' structure and functioning. Nonetheless, little effort has been undertaken to understand interactions of press and pulse disturbances. In this context, leaf-shredding macroinvertebrates can be chronically exposed to wastewater treatment plant effluents (i.e., press disturbance) before experiencing pesticide exposure following agricultural runoff (i.e., pulse disturbance). It is assumed that wastewater pre-exposure alters animals' sensitivity to pesticides. To test this hypothesis, we exposed model-populations of the shredder Gammarus fossarum to wastewater at three field-relevant dilution levels (i...
July 25, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/28617676/interactions-between-low-energy-electrons-and-dna-a-perspective-from-first-principles-simulations
#13
Jorge Kohanoff, Maeve McAllister, Gareth A Tribello, Bin Gu
DNA damage caused by irradiation has been studied for many decades. Such studies allow us to better assess the dangers posed by radiation, and to increase the efficiency of the radiotherapies that are used to combat cancer. A full description of the irradiation process involves multiple size and time scales. It starts with the interaction of radiation-either photons or swift ions-and the biological medium, which causes electronic excitation and ionisation. The two main products of ionising radiation are thus electrons and radicals...
September 27, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28590251/a-primer-on-infectious-disease-bacterial-genomics
#14
REVIEW
Tarah Lynch, Aaron Petkau, Natalie Knox, Morag Graham, Gary Van Domselaar
The number of large-scale genomics projects is increasing due to the availability of affordable high-throughput sequencing (HTS) technologies. The use of HTS for bacterial infectious disease research is attractive because one whole-genome sequencing (WGS) run can replace multiple assays for bacterial typing, molecular epidemiology investigations, and more in-depth pathogenomic studies. The computational resources and bioinformatics expertise required to accommodate and analyze the large amounts of data pose new challenges for researchers embarking on genomics projects for the first time...
October 2016: Clinical Microbiology Reviews
https://www.readbyqxmd.com/read/28587488/running-multiple-marathons-is-not-a-risk-factor-for-premature-subclinical-vascular-impairment
#15
Axel Pressler, Christiane Suchy, Tasja Friedrichs, Sophia Dallinger, Viola Grabs, Bernhard Haller, Martin Halle, Johannes Scherr
Background In contrast to the well-accepted benefits of moderate exercise, recent research has suggested potential deleterious effects of repeated marathon running on the cardiovascular system. We thus performed a comprehensive analysis of markers of subclinical vascular damage in a cohort of runners having finished multiple marathon races successfully. Design This was a prospective, observational study. Methods A total of 97 healthy male Munich marathon participants (mean age 44 ± 10 years) underwent detailed training history, cardiopulmonary exercise testing for assessment of peak oxygen uptake, ultrasound for assessment of intima-media-thickness as well as non-invasive assessments of ankle-brachial index, augmentation index, pulse wave velocity and reactive hyperaemia index...
January 1, 2017: European Journal of Preventive Cardiology
https://www.readbyqxmd.com/read/28586353/lack-of-robustness-of-textural-measures-obtained-from-3d-brain-tumor-mris-impose-a-need-for-standardization
#16
David Molina, Julián Pérez-Beteta, Alicia Martínez-González, Juan Martino, Carlos Velasquez, Estanislao Arana, Víctor M Pérez-García
PURPOSE: Textural measures have been widely explored as imaging biomarkers in cancer. However, their robustness under dynamic range and spatial resolution changes in brain 3D magnetic resonance images (MRI) has not been assessed. The aim of this work was to study potential variations of textural measures due to changes in MRI protocols. MATERIALS AND METHODS: Twenty patients harboring glioblastoma with pretreatment 3D T1-weighted MRIs were included in the study...
2017: PloS One
https://www.readbyqxmd.com/read/28583068/lncrna-screen-an-interactive-platform-for-computationally-screening-long-non-coding-rnas-in-large-genomics-datasets
#17
Yixiao Gong, Hsuan-Ting Huang, Yu Liang, Thomas Trimarchi, Iannis Aifantis, Aristotelis Tsirigos
BACKGROUND: Long non-coding RNAs (lncRNAs) have emerged as a class of factors that are important for regulating development and cancer. Computational prediction of lncRNAs from ultra-deep RNA sequencing has been successful in identifying candidate lncRNAs. However, the complexity of handling and integrating different types of genomics data poses significant challenges to experimental laboratories that lack extensive genomics expertise. RESULT: To address this issue, we have developed lncRNA-screen, a comprehensive pipeline for computationally screening putative lncRNA transcripts over large multimodal datasets...
June 5, 2017: BMC Genomics
https://www.readbyqxmd.com/read/28566050/running-and-osteoarthritis-does-recreational-or-competitive-running-increase-the-risk
#18
REVIEW
(no author information available yet)
Exercise, like running, is good for overall health and, specifically, our hearts, lungs, muscles, bones, and brains. However, some people are concerned about the impact of running on longterm joint health. Does running lead to higher rates of arthritis in knees and hips? While many researchers find that running protects bone health, others are concerned that this exercise poses a high risk for age-related changes to hips and knees. A study published in the June 2017 issue of JOSPT suggests that the difference in these outcomes depends on the frequency and intensity of running...
June 2017: Journal of Orthopaedic and Sports Physical Therapy
https://www.readbyqxmd.com/read/28545504/a-case-report-of-zinc-phosphide-poisoning-complicated-by-acute-renal-failure-and-tubulo-interstitial-nephritis
#19
Nilukshana Yogendranathan, H M M T B Herath, Thenuka Sivasundaram, R Constantine, Aruna Kulatunga
BACKGROUND: Run Rat® is a rodenticide widely used against small mammals. It comprises of a minimum of 32% zinc phosphide which is highly toxic in acute exposures to humans. It may be consumed accidentally or intentionally. It enters the body via skin, respiratory and gastrointestinal tracts. Zinc phosphide is hydrolyzed by the gastric acid and is transformed into phosphine gas. Phosphine is a respiratory toxin that inhibits cytochrome C oxidase system resulting in renal failure and liver failure...
May 25, 2017: BMC Pharmacology & Toxicology
https://www.readbyqxmd.com/read/28534316/relationship-between-air-quality-and-outdoor-exercise-behavior-in-china-a-novel-mobile-based-study
#20
Liang Hu, Li Zhu, Yaping Xu, Jiaying Lyu, Kellie Imm, Lin Yang
PURPOSE: Based on data collected from an exercise app, the study aims to provide empirical evidence on the relationship between air quality and patterns of outdoor exercise in China. METHODS: Objective outdoor exercise data spanning 160 days were collected from 153 users of an exercise app, Tulipsport in China. Each exercise mode (running, biking, and walking, respectively) was organized into five air quality categories based on Air Quality Index (AQI): excellent, good, mild pollution, moderate pollution, and serious pollution...
August 2017: International Journal of Behavioral Medicine
keyword
keyword
47422
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"