Design, synthesis, crystal structure of novel hydrazone analogues as SARS-CoV-2 potent inhibitors: MD simulations, MM-GBSA, docking and ADMET studies by C. R. Santhosh, Sampath Chinnam, Guddekoppa S. Ananthnag, Gbolahan O. Oduselu, Kumarappan Chidambaram, Nagaraju Kerru, Nagaraju Kottam, G. M. Madhu

“…Crystal data outlined crystal packing, bond lengths, bond angles, intermolecular hydrogen bonding parameters, etc. …”
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Oxidation-induced destabilization of polymorphic α-synuclein fibrils: insights from molecular dynamics by Tohir Akramov, Tohir Akramov, Parthiban Marimuthu, Parthiban Marimuthu, Mukhriddin Makhkamov, Mukhriddin Makhkamov, Aamir Shahzad, Rasulbek Mashalov, Jamoliddin Razzokov, Jamoliddin Razzokov, Jamoliddin Razzokov

“…Key structural analyses, including root mean square deviation (RMSD), secondary structure content, solvent-accessible surface area (SASA), and hydrogen bonding, reveal that oxidation induces significant destabilization of αSyn polymorph fibrils. …”
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Towards improved accuracy of Hirshfeld atom refinement with an alternative electron density partition by Michał Chodkiewicz, Krzysztof Woźniak

“…Applying expHAR improved the hydrogen atom parameters in the majority of the structures (compared with HAR), especially in cases with the highest deviations from the reference neutron values. X—H bond lengths and hydrogen ADPs improved for 9/10 of the structures for B3LYP-based refinement and 8/9 for MP2-based refinement when the ADPs were compared with a newly introduced scale-independent similarity measure.…”
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Antifungal activity and biocompatibility assessment with molecular docking and dynamic simulations of new pyrazole derivatives by Basma T. Abd-Elhalim, Ghada G. El-Bana, Ahmed F. El-Sayed, Ghada E. Abdel-Ghani

“…These interactions encompassed diverse molecular bonding types, suggesting these compounds’ potential to hinder enzyme activity and demonstrate notable antifungal properties. …”
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Teori Penjulukan by Dadi Ahmadi, Aliyah Nuraini

“…Labelling theory, famously associated with Howard Becker, was resulted from deviation studies which flourished in the late years of 1950s. …”
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Design and evaluation of a robust carbon-fiber composite beam collimator to protect the machine from accidental injection kicker firing events in the SuperKEKB positron ring by S. Terui, M. Kikuchi, A. Natochii, K. Watanabe, T. Mimashi, T. Ishibashi, M. Shirai, K. Shibata, Y. Suetsugu, K. Iijima, M. Yao, T. Kurihara

“…Initial copper and CFC bonding tests revealed cracks in the CFC caused by stress owing to the difference in thermal expansion. …”
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Similarity or complementarity? Understanding marital relationships in terms of sexual dimorphism in brain morphometry and gender roles by Lei Li, Xinyue Huang, Qingyu Zheng, Jinming Xiao, Xiaolong Shan, Huafu Chen, Xujun Duan

“…Our findings highlight the relationship among gender roles, brain morphology, and marital satisfaction, providing important implications for understanding marital bonding.…”
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Impact of nonsynonymous single nucleotide polymorphisms in PROCR gene on protein stability and thrombotic risk: a molecular dynamic approach by Hytham Ahmed Abuagla, Khalid Mohamed Adam, Mohamed E. Elangeeb, Elsadig Mohamed Ahmed, Elshazali W. Ali, Ali M. Edris, Abubakr Ali Elamin MohamedAhmed, Elmoiz Idris Eltieb, Tarig Babikir Algak Khalid, Bahaeldin K. Elamin, Hiba Mahgoub Ali Osman, Ebtehal Salih Idris

“…These variants disrupt critical glycosylation sites, α-helix integrity, and catalytic residues, leading to increased root mean square deviation (RMSD) and root mean square fluctuation (RMSF), reduced hydrogen bonding, and higher solvent-accessible surface area (SASA) in mutants compared to the wild-type. …”
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Thermophysical Studies of Chlorpheniramine with 1-Propanol at 303 K, 308 K, and 313 K in the Atmospheric Pressure by Sampandam Elangovan

“…Moreover, the standard deviations of the excess parameters are evaluated. The experimental and theoretical data confirmed the existence of hydrogen bonding interactions among the functional groups of the liquid mixture. …”
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Repair Composite Adhesion Strength: A Comparison of Testing Methods by Khrystyna Moskalova, Serhii Hedulian, Nadiia Antoniuk, Mario Šercer

“…However, under identical conditions, the EU standard showed greater consistency (standard deviation 0.25) than the Ukrainian standard (standard deviation 0.42 and 0.32). …”
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Local leadership «beyond city hall»: Analysis of the public communication of Ahmed Aboutaleb, mayor of Rotterdam by Warda Belabas, Jurian Edelenbos

“…Aboutaleb’s public communication on migrant integration, radicalization, and terrorism takes a strong visionary approach that deviates from the non-political and less partisan Dutch way of leadership. …”
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Effect of Substrate Temperature on Bead Track Geometry of 316L in Directed Energy Deposition: Investigation and Regression Modeling by Deviprasad Chalicheemalapalli Jayasankar, Stefan Gnaase, Dennis Lehnert, Artur Walter, Robin Rohling, Thomas Tröster

“…However, the models demonstrated limitations in accurately predicting dilution, indicating the need for further refinement. Despite some deviations in measured values, successful fabrication is achieved, demonstrating robust bonding between the bead and substrate. …”
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Capital adjustment process and credit growth of microfinance institutions: Evidence from Sub-Saharan Africa by Tilahun Aemiro Tehulu

“…The findings, however, fail to support the hypothesis that capitalization impacts MFI lending behavior through the deviation.…”
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Experimental and analytical investigations of reinforced concrete beams strengthened by different CFRP sheet schemes by Khaled Fawzy, Hilal Hassan, M. Madqour

“…The number of layers, strengthening scheme (side and U-shape bonding) and reinforcement ratio are the major parameters of the experimental study. …”
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Predicting the Cetane Number of Biodiesel using two AI-Models: the Gradient-based ANN and ANN Optimized by Genetic Algorithm by Hadis Tanha, Fatemeh Bashipour

“…The developed models were compared using statistical criteria such as the coefficient of determination (R2), mean square error (MSE), average absolute relative deviation (AARD), standard deviation (STD) and mean absolute percentage error (MAPE). …”
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In Silico Study of Combined Docking and Molecular Dynamics Simulation for Hops (<i>Humulus lupulus</i>) Active Compounds in Inhibiting Duffy-Binding Protein (DBP) as Anti-<i>Plasmo... by Gusnia Meilin Gholam, Riyan Alifbi Putera Irsal, Maheswari Alfira Dwicesaria, Muhammad Marsha Azzami Hasibuan

“…In addition, 6-prenylnaringenin is the most stable ligand via the analysis of root-mean-square deviation backbone (RMSDBb), root-mean-square deviation c-alpha (RMSDCa), root-mean-square fluctuation (RMSF), solvent-accessible surface area (SASA), radius of gyration (Rg), and the hydrogen bond formation. …”
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Development of a metal-organic framework-based nanosensor for determination of cyclosporine in plasma samples by Reza Moharami, Zahra Karimzadeh, Zahra Golsanamlu, Afshin Gharakhani, Elaheh Rahimpour, Abolghasem Jouyban

“…Acceptable precision was achieved, evidenced by intra-day and inter-day relative standard deviations of 0.4% and 0.5%, respectively. Recovery between 97.1% and 102.1% in plasma samples indicated the method’s reliability in practical applications.…”
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Statistical Methods for the Investigation of Solvolysis Mechanisms Illustrated by the Chlorides of the Carbomethoxy Protecting Groups NVOC and FMOC by Malcolm J. D’Souza, Jasbir K. Deol, Maryeah T. Pavey, Dennis N. Kevill

“…A reevaluation of the kinetic data for 9-fluorenylmethyl chloroformate (FMOC-Cl, 2) involves a correlation of log⁡k/ko2 versus log⁡(k/ko)PhOCOCl. In this plot, deviations were observed in solvents rich in a hydrogen-bonding fluoroalcohol component. …”
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Quantifying Anisotropic Properties of Old–New Concrete Interfaces Using X-Ray Computed Tomography and Homogenization by Guanming Zhang, Yang Lu

“…Despite various treatments to enhance bonding, this interface often remains a weak layer that compromises overall structural performance. …”
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When the Midline Diastema Is Not Characteristic of the “Ugly Duckling” Stage by Orlando Motohiro Tanaka, Alessandro Yuske Kusano Morino, Oscar Fernando Machuca, Neblyssa Ágatha Schneider

“…A flat wire segment was bonded onto the palatal surface of the central incisors for retention.…”
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