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https://www.readbyqxmd.com/read/28636361/a-machine-learning-assisted-approach-for-discovering-novel-inhibitors-targeting-bromodomain-containing-protein-4
#1
Jing Xing, Wenchao Lu, Rongfeng Liu, Yulan Wang, Yiqian Xie, Hao Zhang, Zhe Shi, Hao Jiang, Yu-Chih Liu, Kaixian Chen, Hualiang Jiang, Cheng Luo, Mingyue Zheng
Bromodomain-containing protein 4 (BRD4) is implicated in the pathogenesis of a number of different cancers, inflammatory diseases and heart failure. Much effort has been dedicated toward discovering novel scaffold BRD4 inhibitors (BRD4is) with different selectivity profiles and potential anti-resistance properties. Structure-based drug design (SBDD) and virtual screening (VS) are the most frequently used approaches. Here, we demonstrate a novel, structure-based VS approach that uses machine-learning algorithms trained on the priori structure and activity knowledge to predict the likelihood that a compound is a BRD4i based on its binding pattern with BRD4...
June 21, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28634632/can-a-virtual-reality-surgical-simulation-training-provide-a-self-driven-and-mentor-free-skills-learning-investigation-of-the-practical-influence-of-the-performance-metrics-from-the-virtual-reality-robotic-surgery-simulator-on-the-skill-learning-and-associated
#2
Gyusung I Lee, Mija R Lee
BACKGROUND: While it is often claimed that virtual reality (VR) training system can offer self-directed and mentor-free skill learning using the system's performance metrics (PM), no studies have yet provided evidence-based confirmation. This experimental study investigated what extent to which trainees achieved their self-learning with a current VR simulator and whether additional mentoring improved skill learning, skill transfer and cognitive workloads in robotic surgery simulation training...
June 20, 2017: Surgical Endoscopy
https://www.readbyqxmd.com/read/28634628/standardizing-hysteroscopy-teaching-development-of-a-curriculum-using-the-delphi-method
#3
Marie-Emmanuelle Neveu, Elodie Debras, Julien Niro, Hervé Fernandez, Pierre Panel
BACKGROUND: Hysteroscopy is performed often and in many indications but is challenging to learn. Hands-on training in live patients faces ethical, legal, and economic obstacles. Virtual reality simulation may hold promise as a hysteroscopy training tool. No validated curriculum specific in hysteroscopy exists. The aim of this study was to develop a hysteroscopy curriculum, using the Delphi method to identify skill requirements. METHODS: Based on a literature review using the key words "curriculum," "simulation," and "hysteroscopy," we identified five technical and non-technical areas in which skills were required...
June 20, 2017: Surgical Endoscopy
https://www.readbyqxmd.com/read/28632444/the-structural-consequences-of-big-data-driven-education
#4
Elana Zeide
Educators and commenters who evaluate big data-driven learning environments focus on specific questions: whether automated education platforms improve learning outcomes, invade student privacy, and promote equality. This article puts aside separate unresolved-and perhaps unresolvable-issues regarding the concrete effects of specific technologies. It instead examines how big data-driven tools alter the structure of schools' pedagogical decision-making, and, in doing so, change fundamental aspects of America's education enterprise...
June 2017: Big Data
https://www.readbyqxmd.com/read/28631297/an-augmented-reality-tool-for-learning-spatial-anatomy-on-mobile-devices
#5
Nishant Jain, Patricia Youngblood, Matthew Hasel, Sakti Srivastava
INTRODUCTION: Augmented Realty (AR) offers a novel method of blending virtual and real anatomy for intuitive spatial learning. Our first aim in the study was to create a prototype AR tool for mobile devices. Our second aim was to complete a technical evaluation of our prototype AR tool focused on measuring the system's ability to accurately render digital content in the real world. MATERIALS AND METHODS: We imported Computed Tomography (CT) data derived virtual surface models into a 3D Unity engine environment and implemented an AR algorithm to display these on mobile devices...
June 20, 2017: Clinical Anatomy
https://www.readbyqxmd.com/read/28626018/dissecting-the-function-of-hippocampal-oscillations-in-a-human-anxiety-model
#6
Saurabh Khemka, Gareth Barnes, Raymond J Dolan, Dominik R Bach
Neural oscillations in hippocampus and medial prefrontal cortex (mPFC) are a hallmark of rodent anxiety models that build on conflict between approach and avoidance. Yet, the function of these oscillations, and their expression in humans, remain elusive. Here, we used magnetoencephalography (MEG) to investigate neural oscillations in a task that simulated approach-avoidance conflict, wherein 23 male and female human participants collected monetary tokens under a threat of virtual predation. Probability of threat was learned beforehand by direct experience...
June 16, 2017: Journal of Neuroscience: the Official Journal of the Society for Neuroscience
https://www.readbyqxmd.com/read/28624709/contracted-time-and-expanded-space-the-impact-of-circumnavigation-on-judgements-of-space-and-time
#7
Iva K Brunec, Amir-Homayoun Javadi, Fiona E L Zisch, Hugo J Spiers
The ability to estimate distance and time to spatial goals is fundamental for survival. In cases where a region of space must be navigated around to reach a location (circumnavigation), the distance along the path is greater than the straight-line Euclidean distance. To explore how such circumnavigation impacts on estimates of distance and time, we tested participants on their ability to estimate travel time and Euclidean distance to learned destinations in a virtual town. Estimates for approximately linear routes were compared with estimates for routes requiring circumnavigation...
June 15, 2017: Cognition
https://www.readbyqxmd.com/read/28624633/from-flamingo-dance-to-desirable-drug-discovery-a-nature-inspired-approach
#8
REVIEW
Aminael Sánchez-Rodríguez, Yunierkis Pérez-Castillo, Stephan C Schürer, Orazio Nicolotti, Giuseppe Felice Mangiatordi, Fernanda Borges, M Natalia D S Cordeiro, Eduardo Tejera, José L Medina-Franco, Maykel Cruz-Monteagudo
The therapeutic effects of drugs are well known to result from their interaction with multiple intracellular targets. Accordingly, the pharma industry is currently moving from a reductionist approach based on a 'one-target fixation' to a holistic multitarget approach. However, many drug discovery practices are still procedural abstractions resulting from the attempt to understand and address the action of biologically active compounds while preventing adverse effects. Here, we discuss how drug discovery can benefit from the principles of evolutionary biology and report two real-life case studies...
June 15, 2017: Drug Discovery Today
https://www.readbyqxmd.com/read/28618306/effects-of-acute-exercise-on-fear-extinction-in-rats-and-exposure-therapy-in-humans-null-findings-from-five-experiments
#9
Jolene Jacquart, Rheall F Roquet, Santiago Papini, Mark B Powers, David Rosenfield, Jasper A J Smits, Marie-H Monfils
BACKGROUND: Exposure therapy is an established learning-based intervention for the treatment of anxiety disorders with an average response rate of nearly 50%, leaving room for improvement. Emerging strategies to enhance exposure therapy in humans and fear extinction retention in animal models are primarily pharmacological. These approaches are limited as many patients report preferring non-pharmacological approaches in therapy. With general cognitive enhancement effects, exercise has emerged as a plausible non-pharmacological augmentation strategy...
June 4, 2017: Journal of Anxiety Disorders
https://www.readbyqxmd.com/read/28611701/virtual-learning-simulations-in-high-school-effects-on-cognitive-and-non-cognitive-outcomes-and-implications-on-the-development-of-stem-academic-and-career-choice
#10
Malene Thisgaard, Guido Makransky
The present study compared the value of using a virtual learning simulation compared to traditional lessons on the topic of evolution, and investigated if the virtual learning simulation could serve as a catalyst for STEM academic and career development, based on social cognitive career theory. The investigation was conducted using a crossover repeated measures design based on a sample of 128 high school biology/biotech students. The results showed that the virtual learning simulation increased knowledge of evolution significantly, compared to the traditional lesson...
2017: Frontiers in Psychology
https://www.readbyqxmd.com/read/28606179/modifying-upper-limb-inter-joint-coordination-in-healthy-subjects-by-training-with-a-robotic-exoskeleton
#11
Tommaso Proietti, Emmanuel Guigon, Agnès Roby-Brami, Nathanaël Jarrassé
BACKGROUND: The possibility to modify the usually pathological patterns of coordination of the upper-limb in stroke survivors remains a central issue and an open question for neurorehabilitation. Despite robot-led physical training could potentially improve the motor recovery of hemiparetic patients, most of the state-of-the-art studies addressing motor control learning, with artificial virtual force fields, only focused on the end-effector kinematic adaptation, by using planar devices...
June 12, 2017: Journal of Neuroengineering and Rehabilitation
https://www.readbyqxmd.com/read/28601761/improving-virtual-screening-predictive-accuracy-of-human-kallikrein-5-inhibitors-using-machine-learning-models
#12
Xingang Fang, Sikha Bagui, Subhash Bagui
The readily available high throughput screening (HTS) data from the PubChem database provides an opportunity for mining of small molecules in a variety of biological systems using machine learning techniques. From the thousands of available molecular descriptors developed to encode useful chemical information representing the characteristics of molecules, descriptor selection is an essential step in building an optimal quantitative structural-activity relationship (QSAR) model. For the development of a systematic descriptor selection strategy, we need the understanding of the relationship between: (i) the descriptor selection; (ii) the choice of the machine learning model; and (iii) the characteristics of the target bio-molecule...
May 29, 2017: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/28600133/developing-a-virtual-teach-to-goal-%C3%A2-inhaler-technique-learning-module-a-mixed-methods-approach
#13
Meng Wu, Nicole M Woodrick, Vineet M Arora, Jeanne M Farnan, Valerie G Press
BACKGROUND: Most hospitalized patients with asthma or chronic obstructive pulmonary disease misuse respiratory inhalers. An in-person educational strategy, teach-to-goal (TTG), improves inpatients' inhaler technique. OBJECTIVE: To develop an effective, portable education intervention that remains accessible to hospitalized patients postdischarge for reinforcement of proper inhaler technique. METHODS: A mixed methods approach at an urban academic hospital was used to iteratively develop, modify, and test a virtual teach-to-goal(™) (V-TTG(™)) educational intervention using patient end-user feedback...
June 6, 2017: Journal of Allergy and Clinical Immunology in Practice
https://www.readbyqxmd.com/read/28598433/refinement-of-learned-skilled-movement-representation-in-motor-cortex-deep-output-layer
#14
Qian Li, Ho Ko, Zhong-Ming Qian, Leo Y C Yan, Danny C W Chan, Gordon Arbuthnott, Ya Ke, Wing-Ho Yung
The mechanisms underlying the emergence of learned motor skill representation in primary motor cortex (M1) are not well understood. Specifically, how motor representation in the deep output layer 5b (L5b) is shaped by motor learning remains virtually unknown. In rats undergoing motor skill training, we detect a subpopulation of task-recruited L5b neurons that not only become more movement-encoding, but their activities are also more structured and temporally aligned to motor execution with a timescale of refinement in tens-of-milliseconds...
June 9, 2017: Nature Communications
https://www.readbyqxmd.com/read/28592307/global-gene-expression-in-muscle-from-fasted-refed-trout-reveals-up-regulation-of-genes-promoting-myofibre-hypertrophy-but-not-myofibre-production
#15
Pierre-Yves Rescan, Aurelie Le Cam, Cécile Rallière, Jérôme Montfort
BACKGROUND: Compensatory growth is a phase of rapid growth, greater than the growth rate of control animals, that occurs after a period of growth-stunting conditions. Fish show a capacity for compensatory growth after alleviation of dietary restriction, but the underlying cellular mechanisms are unknown. To learn more about the contribution of genes regulating hypertrophy (an increase in muscle fibre size) and hyperplasia (the generation of new muscle fibres) in the compensatory muscle growth response in fish, we used high-density microarray analysis to investigate the global gene expression in muscle of trout during a fasting-refeeding schedule and in muscle of control-fed trout displaying normal growth...
June 7, 2017: BMC Genomics
https://www.readbyqxmd.com/read/28592282/the-role-of-virtual-reality-in-improving-motor-performance-as-revealed-by-eeg-a-randomized-clinical-trial
#16
Rocco Salvatore Calabrò, Antonino Naro, Margherita Russo, Antonino Leo, Rosaria De Luca, Tina Balletta, Antonio Buda, Gianluca La Rosa, Alessia Bramanti, Placido Bramanti
BACKGROUND: Many studies have demonstrated the usefulness of repetitive task practice by using robotic-assisted gait training (RAGT) devices, including Lokomat, for the treatment of lower limb paresis. Virtual reality (VR) has proved to be a valuable tool to improve neurorehabilitation training. The aim of our pilot randomized clinical trial was to understand the neurophysiological basis of motor function recovery induced by the association between RAGT (by using Lokomat device) and VR (an animated avatar in a 2D VR) by studying electroencephalographic (EEG) oscillations...
June 7, 2017: Journal of Neuroengineering and Rehabilitation
https://www.readbyqxmd.com/read/28587117/deepmap-recognizing-high-level-indoor-semantics-using-virtual-features-and-samples-based-on-a-multi-length-window-framework
#17
Wei Zhang, Siwang Zhou
Existing indoor semantic recognition schemes are mostly capable of discovering patterns through smartphone sensing, but it is hard to recognize rich enough high-level indoor semantics for map enhancement. In this work we present DeepMap+, an automatical inference system for recognizing high-level indoor semantics using complex human activities with wrist-worn sensing. DeepMap+ is the first deep computation system using deep learning (DL) based on a multi-length window framework to enrich the data source. Furthermore, we propose novel methods of increasing virtual features and virtual samples for DeepMap+ to better discover hidden patterns of complex hand gestures...
May 26, 2017: Sensors
https://www.readbyqxmd.com/read/28584867/utilization-and-acceptance-of-virtual-patients-in-veterinary-basic-sciences-the-vetvip-project
#18
Christin Kleinsorgen, Marta Kankofer, Zbigniew Gradzki, Mira Mandoki, Tibor Bartha, Maren von Köckritz-Blickwede, Hassan Y Naim, Martin Beyerbach, Andrea Tipold, Jan P Ehlers
Context: In medical and veterinary medical education the use of problem-based and cased-based learning has steadily increased over time. At veterinary faculties, this development has mainly been evident in the clinical phase of the veterinary education. Therefore, a consortium of teachers of biochemistry and physiology together with technical and didactical experts launched the EU-funded project "vetVIP", to create and implement veterinary virtual patients and problems for basic science instruction. In this study the implementation and utilization of virtual patients occurred at the veterinary faculties in Budapest, Hannover and Lublin...
2017: GMS Journal for Medical Education
https://www.readbyqxmd.com/read/28584534/impact-of-virtual-microscopy-with-conventional-microscopy-on-student-learning-in-dental-histology
#19
Alka Harish Hande, Vidya K Lohe, Minal S Chaudhary, Madhuri N Gawande, Swati K Patil, Prajakta R Zade
BACKGROUND: In dental histology, the assimilation of histological features of different dental hard and soft tissues is done by conventional microscopy. This traditional method of learning prevents the students from screening the entire slide and change of magnification. To address these drawbacks, modification in conventional microscopy has evolved and become motivation for changing the learning tool. Virtual microscopy is the technique in which there is complete digitization of the microscopic glass slide, which can be analyzed on a computer...
March 2017: Dental Research Journal
https://www.readbyqxmd.com/read/28583904/a-cloud-based-virtual-reality-app-for-a-novel-telemindfulness-service-rationale-design-and-feasibility-evaluation
#20
Imre Cikajlo, Ursa Cizman Staba, Suzana Vrhovac, Frances Larkin, Mark Roddy
BACKGROUND: Worldwide, there has been a marked increase in stress and anxiety, also among patients with traumatic brain injury (TBI). Access to psychology services is limited, with some estimates suggesting that over 50% of sufferers are not accessing the existing services available to them for reasons such as inconvenience, embarrassment, or stigmatization concerns around mental health. Health service providers have increasingly been turning to drug-free therapies, such as mindfulness programs, as complementary treatments...
June 5, 2017: JMIR Research Protocols
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