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  1. 1541
    “…Computational approaches are essential tools to this end since their application enables fast and early strategical decisions in the drug development process. We present a rational design approach, in which acylide antibiotics were screened based on computational predictions of solubility, membrane permeability, and binding affinity toward the ribosome. …”
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    Rational prioritization strategy allows the design of macrolide derivatives that overcome antibiotic resistance
  2. 1542
    “…Discussion and future perspectives are provided highlighting the rational design of 2D material membrane structures in the future.…”
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    2D Material Nanofiltration Membranes: From Fundamental Understandings to Rational Design
  3. 1543
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    Rational selection of bioactive principles for wound healing applications: Growth factors and antioxidants
  4. 1544
    “…This review aims at giving an overview of recent structural information obtained for hRSV and hMPV P, N, and more specifically for P-NC and N(0)-P complexes that pave the way for the rational design of new antivirals against those viruses.…”
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    Interactions between the Nucleoprotein and the Phosphoprotein of Pneumoviruses: Structural Insight for Rational Design of Antivirals
  5. 1545
    “…In this study, we demonstrated the functional distribution pattern of four DGAT2s in oleaginous thraustochytrid Aurantiochytrium, and provided a promising target to rationally design TAG molecular with the desired characteristics. …”
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    Cocktail biosynthesis of triacylglycerol by rational modulation of diacylglycerol acyltransferases in industrial oleaginous Aurantiochytrium
  6. 1546
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    Rational Synthesis and Regulation of Hollow Structural Materials for Electrocatalytic Nitrogen Reduction Reaction
  7. 1547
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    HIF-1α Is a Rational Target for Future Ovarian Cancer Therapies
  8. 1548
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    Optimizing Plant Disease Management in Agricultural Ecosystems Through Rational In-Crop Diversification
  9. 1549
    “…A relativistic version of the rational extended thermodynamics of polyatomic gases based on a new hierarchy of moments that takes into account the total energy composed by the rest energy and the energy of the molecular internal mode is proposed. …”
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    Relativistic Rational Extended Thermodynamics of Polyatomic Gases with a New Hierarchy of Moments
  10. 1550
    “…Previously, we reported the antimicrobial and haemolytic effects of a natural AMP, magainin 2 (Mag2), isolated from the skin of Xenopus laevis (the African clawed frog), four types of synthesised Mag2 derivatives, and three types of rationally designed AMPs on gram-positive and gram-negative bacteria. …”
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    The effects of magainin 2-derived and rationally designed antimicrobial peptides on Mycoplasma pneumoniae
  11. 1551
    “…This study laid a foundation for the rational engineering of other GTs to synthesize valuable small molecules.…”
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    Docking-guided rational engineering of a macrolide glycosyltransferase glycodiversifies epothilone B
  12. 1552
    “…OBJECTIVE: To investigate the current status of knowledge and behavior about rational drug use in college students in different colleges and universities in a city in southwest China, providing reference for students’ education of rational drug use in colleges and universities. …”
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    Knowledge and Behavior in Rational Drug Use Among College Students in Zunyi City
  13. 1553
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    Corrigendum: Comparing Antibody Interfaces to Inform Rational Design of New Antibody Formats
  14. 1554
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    Antioxidant defence system as a rational target for Chagas disease and Leishmaniasis chemotherapy
  15. 1555
    “…Questions were asked related to rationally limiting the spread of virus, and questions related to behaviors that seem to be extreme. …”
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    Students’ negative emotions and their rational and irrational behaviors during COVID-19 outbreak
  16. 1556
    “…Our study demonstrates that one can rationally design a stabilized, specific peptidyl protease inhibitor by strategic placement of a thioamide and reaffirms the place of this single-atom modification in the toolbox of peptide-based rational drug design.…”
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    Rational design of thioamide peptides as selective inhibitors of cysteine protease cathepsin L
  17. 1557
    por Han, Ge, Xue, Yi
    Publicado 2022
    “…In recent years, there has been growing interest in structural and functional studies of these transient states, but the rational design of excited states remains unexplored. …”
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    Rational design of hairpin RNA excited states reveals multi-step transitions
  18. 1558
    “…Understanding the relationship among rheological behaviors, macromolecular structures and adhesive performances can be very useful to the rational design of waterborne polyurethane pressure sensitive adhesives (WPU-PSAs) for different operating temperatures, as well as other kinds of adhesives. …”
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    Rational Design of Waterborne Polyurethane Pressure Sensitive Adhesives for Different Working Temperatures
  19. 1559
    “…Increasingly, genetic alterations that occur within cancer cells have been shown to modulate the tumor microenvironment resulting in immune evasion, and these have led to the emergence of trials that rationalize a combination of targeted therapy with immunotherapy. …”
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    Rational Combinations of Targeted Therapy and Immune Checkpoint Inhibitors in Head and Neck Cancers
  20. 1560
    por Yang, Ze, Gao, Wang
    Publicado 2022
    “…Importantly, this work clarifies the existing understanding of physical picture of heterogeneous catalysis, and emphasize the significance of rational selection of universal descriptors. Finally, the development of heterogeneous catalytic descriptors for machine learning are presented.…”
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    Applications of Machine Learning in Alloy Catalysts: Rational Selection and Future Development of Descriptors
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