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  1. 1541
    “…In this study, we have evaluated the mechanism of the 2′-O methylation of the viral mRNA cap using hybrid quantum mechanics/molecular mechanics (QM/MM) approach. It was found that the calculated free energy barriers obtained at M062X/6-31+G(d,p) is in agreement with experimental observations. …”
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    Exploring the Catalytic Mechanism of the RNA Cap Modification by nsp16-nsp10 Complex of SARS-CoV-2 through a QM/MM Approach
  2. 1542
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    Virtual screening, molecular dynamics and binding energy-MM-PBSA studies of natural compounds to identify potential EcR inhibitors against Bemisia tabaci Gennadius
  3. 1543
    por Delibegovic, Samir
    Publicado 2022
    “…We present findings, using a novel flexible needle made from a super elastic titanium alloy, which demonstrate that it is possible for a 26- and 30-mm needle to pass through a 3.5- and 5-mm trocar. …”
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    Minimising in minimally invasive surgery through the use of a novel and flexible super elastic titanium needle suitable for a 3.5- and 5-mm trocar
  4. 1544
    “…The probability that the diffusion sequence with b4000 s/mm2 values ​​classifies patients with prostate cancer was 80%. …”
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    Detection of High-Grade Prostate Cancer With a Super High B-value (4000 s/mm2) in Diffusion-Weighted Imaging Sequences by Magnetic Resonance Imaging
  5. 1545
    “…The results indicated that the QM/MM method reproduced well the large rate increases on-water. …”
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    Effects of solvents on the DACBO-catalyzed vinylogous Henry reaction of isatin with 3,5-dimethyl-4-nitroisoxazole “on-water” and in solution from QM/MM MC simulations
  6. 1546
    “…A series of hetero-binuclear superatom motifs involving chloride/bromide ligands, that is, MM′X(4) (−) (M = Li, Na; M′ = Be, Mg, Ca; X = Cl, Br) anions, have been characterized by using many-body perturbation theory calculations. …”
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    Design of a Novel Series of Hetero-Binuclear Superhalogen Anions MM′X(4) (−) (M = Li, Na; M′ = Be, Mg, Ca; X = Cl, Br)
  7. 1547
    “…The data collected in this work suggests that the optimized values in this study provide a more suitable setup of the QM/MM link bonds compared to the use of a single global setting applied to every amino acid fragmented by the QM/MM interface. …”
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    Probing the range of applicability of structure‐ and energy‐adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approaches
  8. 1548
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    Secure Spectrum Access, Routing, and Hybrid Beamforming in an Edge-Enabled mmWave Massive MIMO CRN-Based Internet of Connected Vehicle (IoCV) Environments
  9. 1549
    “…Combined with the residue-damage-free transfer method that used camphor as a supporting layer, we successfully fabricated a large-area (100 × 100 mm(2)) NGF pellicle with a thickness of ∼20 nm, and an EUV transmittance of ∼87.2%.…”
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    Fabrication of a 100 × 100 mm(2) nanometer-thick graphite pellicle for extreme ultraviolet lithography by a peel-off and camphor-supported transfer approach
  10. 1550
    por Song, Shaohan, Shao, Zhiyu
    Publicado 2022
    “…Subsequently, virtual screening on the self-developed flavonoid natural product database (FNPD), led to the identification of two flavonoid glycosides (Cas No: 1397173-50-0 and 1169835-58-8), as potential ENPP1 inhibitors. Docking scores and MM/GBSA binding energies predicted that they might have higher inhibitory effects than myricetin. …”
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    From Myricetin to the Discovery of Novel Natural Human ENPP1 Inhibitors: A Virtual Screening, Molecular Docking, Molecular Dynamics Simulation, and MM/GBSA Study
  11. 1551
    “…RESULTS: Apertures with a range of repositioning errors less than 0.1 mm possessed a 42% larger average MI gradient when compared with apertures with a range greater than 1 mm. …”
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    Region‐of‐interest intra‐arc MV imaging to facilitate sub‐mm positional accuracy with minimal imaging dose during treatment deliveries of small cranial lesions
  12. 1552
    “…MIS presented with a surface diameter of just 1.2 mm and invasive melanoma 2.5 mm. Pseudopods were a strong clue to melanomas with a surface diameter less than 5mm. …”
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    The Hunt for Baby Melanomas: A Prospective Study of the Dermoscopy Features on 100 Small Melanoma Cases with in Vivo Surface Diameters up to a Maximum of 6 mm
  13. 1553
    “…This effect was explained through a combination of LC-MS experiments and QM:MM modelling, and we attribute it to a decrease in the enantioselectivity of C2-H activation upon the deuteration of the 2β position. …”
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    1,2-Hydrogenation and Transhydrogenation Catalyzed by 3-Ketosteroid Δ(1)-Dehydrogenase from Sterolibacterium denitrificans—Kinetics, Isotope Labelling and QM:MM Modelling Studies
  14. 1554
    “…In addition, both dmLT and mmCT enhanced germinal center formation and accordingly, dmLT and mmCT enhanced the induction and persistence of Pn1-specific IgG(+) Ab-secreting cells (ASCs) in spleen and bone marrow (BM), irrespective of the immunization route. …”
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    The adjuvants dmLT and mmCT enhance humoral immune responses to a pneumococcal conjugate vaccine after both parenteral or mucosal immunization of neonatal mice
  15. 1555
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    Combined Use of Dermoscopy, Reflectance Confocal Microscopy and Ex-Vivo Gene Expression Profiling to Detect a Micro-Melanoma Less Than 1 mm in Diameter
  16. 1556
    “…Successful off-label TAVI was performed for tricuspid aortic valve stenosis with an aortic annulus of >900 mm(2). An Edwards S3 29 mm valve was overexpanded with an extra 7 mL of volume at valve deployment. …”
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    Successful aortic valve replacement by overexpanding a SAPIEN transcatheter heart valve for a large aortic annulus (>900 mm(2)): a case report
  17. 1557
    por Riccabona, Michael
    Publicado 2014
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    Why consider contrast-enhanced ultrasound (ce-US) in children?: Editorial comment on: M.M. Woźniak, A. Pawelec, A.P. Wieczorek, M.M. Zajączkowska, H. Borzęcka and P. Nachulewicz 2D/3D/4D contrast-enhanced voiding urosnography in the diagnosis and monitoring of treatment of vesicoureteral reflux in children – can it replace voiding cystourethrography?
  18. 1558
    Tesis Libro
    Optimización del proceso productivo de tubo corrugado de 20 mm mediante un diseño experimental elaborado en proinvel S. A. de C. V./
  19. 1559
    por Morales Cortez, Rosa Elena
    Publicado 2002
    Tesis Libro
    Estudios de sensibilidad del modelo de mesoescala MM5 a lluvia por parametrizaciones de convección tipo cumulus para la república mexicana /
  20. 1560
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    Measurement of the real part of the proton-proton scattering amplitude at the highest ISR energies. Request for permission to measure background rates at a few mm from the beam axis
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