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  1. 7021
    “…Herein, we demonstrated and compared the ability of the Glide extra precision (XP) and Induced Fit docking (IFD) tool of Schrodinger software suite to reproduce the binding mode of co-crystallized ligands into six X-ray crystallographic structures. …”
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    Structure-Based Site of Metabolism (SOM) Prediction of Ligand for CYP3A4 Enzyme: Comparison of Glide XP and Induced Fit Docking (IFD)
  2. 7022
    “…An urgent angio-computed tomography scan for revascularization purpose was requested, but the patient died on the arrival in the radiological suite. CONCLUSIONS: Acute thrombosis of vascular prosthetic grafts is a possible, catastrophic complication of COVID-19 infection. …”
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    Acute Thrombosis of an Aortic Prosthetic Graft in a Patient with Severe COVID-19–Related Pneumonia
  3. 7023
    “…In addition, the database has a suite of additional modules for ‘deep phenotyping’ based on established tools. …”
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    The PRECISE (PREgnancy Care Integrating translational Science, Everywhere) database: open-access data collection in maternal and newborn health
  4. 7024
    “…We extracted 68 quantitative features from digital images of strawberries using a suite of morphometric analyses and multivariate statistical approaches. …”
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    Multi-dimensional machine learning approaches for fruit shape phenotyping in strawberry
  5. 7025
    por Shah, Bhumi, Modi, Palmi, Sagar, Sneha R.
    Publicado 2020
    “…Docking study was performed using Maestro interface (Schrödinger Suite, LLC, NY). KEY FINDINGS: Out of these 61 molecules, 37 molecules were found to interact with >2 protein structures of COVID-19. …”
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    In silico studies on therapeutic agents for COVID-19: Drug repurposing approach
  6. 7026
    “…Rosetta is one of the largest software suites for macromolecular modeling, with 3.1 million lines of code and many state-of-the-art applications. …”
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    Better together: Elements of successful scientific software development in a distributed collaborative community
  7. 7027
    “…The pathogenic yeast Candida glabrata is reliant on a suite of cell surface adhesins that play a variety of roles necessary for transmission, establishment and proliferation during infection. …”
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    The Epithelial adhesin 1 tandem repeat region mediates protein display through multiple mechanisms
  8. 7028
    “…All doctors in training (DITs) (N = 28) and midwives (N = 69) working in the delivery suite were invited to participate. Wellbeing was assessed by measuring burnout, compassion fatigue, and perceived stress using validated questionnaires. …”
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    Interventions to improve wellbeing among obstetricians and midwives at Cork University Maternity Hospital
  9. 7029
    “…We propose that this Triassic fault system acted as a suite of methane migration conduits and was the prerequisite step for further seafloor deformations triggered by rapid gas hydrate dissociation some 15–12 ka BP. …”
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    Geological controls of giant crater development on the Arctic seafloor
  10. 7030
    “…Although the panorama is changing with recent tools like CaImAn, Suite2P, and others, there is still a barrier for many laboratories to adopt these packages, especially for potential users without sophisticated programming skills. …”
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    EZcalcium: Open-Source Toolbox for Analysis of Calcium Imaging Data
  11. 7031
    por Patnaik, Debasis
    Publicado 2020
    “…DATA DESCRIPTION: Nearly 2.4 million molecules from various chemical libraries were screened with the SRA domain of UHRF1 using Schrodinger’s Small Molecule Drug Discovery Suite. The data is available in the form of a methodology presentation, MS Excel files listing the top hits, and Maestro pose viewer files that provide visualization of how the identified ligands interact with the SRA domain.…”
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    Structure-based screening of chemical libraries to identify small molecules that are likely to bind with the SET and RING-associated (SRA) domain of Ubiquitin-like, PHD and Ring Finger-containing 1 (UHRF1)
  12. 7032
    “…Only 18.3 % of respondents had access to negative pressure rooms either within (5.4 %) or outside (12.9 %) the usual endoscopy suite. Conclusion  Endoscopy units in India are performing fewer than 10 % of their usual volumes due to current restrictions. …”
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    Impact of COVID-19 on gastrointestinal endoscopy practice in India: a cross-sectional study
  13. 7033
    “…The data also revealed cultivar specific effects of AMF symbiosis that increase understanding of genotype related differences. Additionally, a suite of proteins and secondary metabolites are presented, induced in seeds of P. sativum upon AMF-colonization and pathogen attack, and possibly involved in induced systemic resistance against D. pinodes, useful for modern breeding strategies implementing microsymbionts toward increased pathogen resistance.…”
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    Seed Metabolism and Pathogen Resistance Enhancement in Pisum sativum During Colonization of Arbuscular Mycorrhizal Fungi: An Integrative Metabolomics-Proteomics Approach
  14. 7034
    “…We hypothesized that a suite of target proteins could be measured using this technique and that the expression of these proteins would be associated with biological (sex, age, sample location on body) and environmental (geographic area, season, sample year) variables. …”
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    Development and validation of protein biomarkers of health in grizzly bears
  15. 7035
    “…Images were assessed at distances of 2 mm (apical), 5 mm (middle), and 8 mm (coronal) from the apex with the Leica Application Suite V4.10 software. The EDTA + PUI and QMiX + PUI protocols presented higher rates of debris/smear layer removal in the apical and middle thirds. …”
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    The effect of 17% EDTA and QMiX ultrasonic activation on smear layer removal and sealer penetration: ex vivo study
  16. 7036
    “…We compared both the explanatory power (i.e., model goodness of fit) and predictive power (i.e., performance on a novel dataset) of the GAMs and BRTs for a taxonomically diverse suite of cetacean species using a robust set of systematic survey data (1991–2014) within the California Current Ecosystem. …”
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    Performance evaluation of cetacean species distribution models developed using generalized additive models and boosted regression trees
  17. 7037
    “…Using this serendipitous opportunity, we compared mRNA expression changes of a suite of proteins in sinoatrial node (SAN), atrial and ventricular tissues after both 1 h and longer than 3 weeks for both experimental acclimation groups to identify those changes only associated with pacemaker rate resetting. …”
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    A rapid intrinsic heart rate resetting response with thermal acclimation in rainbow trout, Oncorhynchus mykiss
  18. 7038
    “…The interface could have a variety of applications in interfacing life sciences to nano-electronics, including electronic assays of membrane potential dynamics, nano-electronic actuation of cellular activity, and tomographic, nano-radar imaging of the morphology of vital organelles in the cytoplasm, during all phases of the cell life cycle (from development to senescence), under a variety of physiological environments, and under a broad suite of pharmacological manipulations.…”
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    An ultra-high bandwidth nano-electronic interface to the interior of living cells with integrated fluorescence readout of metabolic activity
  19. 7039
    “…We develop a method to quantify this behavioural variation, describing the key drivers and providing a tool to account for biases in models that use these data. We used a suite of metrics to describe the temporal and spatial behaviour of participants, as well as variation in the data they collected. …”
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    Data-derived metrics describing the behaviour of field-based citizen scientists provide insights for project design and modelling bias
  20. 7040
    “…Small-molecule drug discovery-suite was used to analyze QAS/Sortase-A active site. …”
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    A quaternary ammonium silane antimicrobial triggers bacterial membrane and biofilm destruction
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