Inhibition of dimeric SARS-CoV-2 Mpro displays positive cooperativity and a mixture of covalent and non-covalent binding by Krishna M. Padmanabha Das, Jun Chen, Paul S. Charifson, Jeremy Green, Henry Tang, Sanjay Panchal, Fan Pu, Alla Korepanova, Abhinav Dubey, Gustavo Afanador, Vladimir Stojkovic, Boguslaw Nocek, Lance Bigelow, Sarah H. Stubbs, Robert A. Davey, David A. DeGoey, Haribabu Arthanari, Mark N. Namchuk

“…To better understand the observed structure activity relationships (SAR), binding potency and mechanism was examined by enzyme activity assay, surface plasmon resonance, X-ray crystallography, matrix-assisted laser desorption electrospray ionization, and nuclear magnetic resonance (NMR). …”
Get full text

Ligand complex structures of l‐amino acid oxidase/monooxygenase from Pseudomonas sp. AIU 813 and its conformational change by Dohyun Im, Daisuke Matsui, Takatoshi Arakawa, Kimiyasu Isobe, Yasuhisa Asano, Shinya Fushinobu

“…Database The atomic coordinates and structure factors (codes 5YB6, 5YB7, and 5YB8) have been deposited in the Protein Data Bank (http://wwpdb.org/). …”
Get full text

Evaluation of the Patient Innovation Partner Role: Perceived Benefits, Structures, Supports, and Recommendations for Lived Experience Engagement in Healthcare Innovation Teams by Shoshana H. Bardach, Amanda Perry, Terry Sturke, Randy Stevens, Milan F. Satcher

“…While prior research highlights some principles and key considerations for patient involvement in these efforts, there is a limited understanding of how best to structure and support this engagement, especially from the patient perspective and for healthcare innovation projects. …”
Get full text

Glycosyl Mobile Radical Structures of Folic Acid Receptors Impact the Internalization of Functionalized Folate Amphiphilic Alternating Copolymer in Cancer Cells by Emilyn B. Aucoin, Elizabeth Skapinker, Abdulrahman M. Yaish, Yunfan Li, Haley L. Kombargi, Daniel Jeyaraj, Pankaj Garg, Nicole Mendonza, Cecile Malardier-Jugroot, Myron R. Szewczuk

“…These glycosylation sites have been reported to be crucial for the receptor’s structural integrity and its ability to bind and internalize FA. …”
Get full text

Long-term experience of the thermo-active ground source system at the metro station Taborstrasse in Vienna by Dietmar Adam, Adrian Brunner, Roman Markiewicz, Johannes Pistrol

“…In October 2020, the measurements were resumed with the existing sensors, this time manually and once a month, in order to carry out a long-term comparison of the measurement data and to create a basis for assessing the effects of the geothermal operation on its structural components. …”
Get full text

On the treatment of measurement uncertainty in stochastic modeling of basic variables by Stefan Küttenbaum, Stefan Maack, Alexander Taffe, Thomas Braml

“…The acquisition and appropriate processing of relevant information about the considered system remains a major challenge in assessment of existing structures. Both the values and the validity of computed results such as failure probabilities essentially depend on the quantity and quality of the incorporated knowledge. …”
Get full text

Color Simulation of Multilayered Thin Films Using Python by Dongik Lee, Seunghun Lee

Get full text

Equity and Inclusion in Assessing Hereditary Cancer Risk: Insights From Excluded Communities, Structured Interviews, and Population Genetics by Janis Geary PhD, Lynette Hammond Gerido PhD, MPH, Amanda M. Gutierrez MPH, Kali J. Dale

Get full text

ELOE: A WEB APPLICATION FOR ESTIMATION OF GENE TRANSLATION ELONGATION EFFICIENCY by V. S. Sokolov, B. S. Zuraev, S. A. Lashin, Yu. G. Matushkin

“…In addition, the program identifies preferential codons in a genome and defines the distribution of stability of potential secondary structures in 5′ and 3′ regions of mRNA. EloE can be useful in preliminary estimation of translation elongation efficiency of genes in organisms for which experimental data are not available yet. …”
Get full text

View-label driven cross-space structure alignment for incomplete multi-view partial multi-label classification by Shenrun Ding, Jiarui Chen, Tongwei Gao, Yinghao Ye, Xiaohuan Lu

“…Furthermore, we propose cross-space structure alignment (CSA), which imposes view-label hybrid-driven losses on both original and complete feature spaces to enforce structural consistency between partial and holistic semantic topologies. …”
Get full text

Mechanical design of lattice metamaterials: A multiscale homogenization-based operational procedure by Luca Cibrario, Chiara Gastaldi, Cristiana Delprete, Ivan Flaminio Cozza

“…One of the biggest limitations in the mechanical design and optimization of lattice-based structures is represented by the high computational time required in all the phases of numerical analyses due to their geometric complexity and the large number of repeated cells. …”
Get full text

Structure and composition of Cretaceous coal-bearing deposits at Ulziit rift depression margin in East-Gobi region of Mongolia by M. N. Grechukhin, P. A. Ignatov

“…The paper introduces for the first time the data on the structure and composition of coal-bearing sediments in Ulziit tectonic-sedimentary basin’s margin based on the authors analysis of the core material and borehole geophysical data. …”
Get full text

Analytical Validation of Wrist-Worn Accelerometer-Based Step-Count Methods during Structured and Free-Living Activities by Robert T. Marcotte, Shelby L. Bachman, Yaya Zhai, Ieuan Clay, Kate Lyden

“…In this study, we evaluated the performance of four open-source methods for deriving step counts from wrist-worn accelerometry data, when applied to data from a range of structured locomotion and free-living activities. …”
Get full text

Genetic structuring and estimation of reproductive adults in Onchocerca volvulus: A genome-wide analysis across hosts and regions. by Pawan Kumar, Young-Jun Choi, Kerstin Fischer, Shannon M Hedtke, Anusha Kode, Nicholas Opoku, Lincoln Gankpala, Tony O Ukety, Jöel Lonema Mande, Timothy J C Anderson, Warwick N Grant, Peter U Fischer, Makedonka Mitreva

“…Population genetic analyses across hosts and countries showed that nuclear genome diversity can reveal fine-scale genetic structure, even between geographically close countries, providing more resolution than mitochondrial haplotype data. …”
Get full text

Criminal participation in the legal economy during a health crisis: A screening of the Italian economy during 2020 and 2021 by Giovanni Nicolazzo

“…Moving beyond traditional reliance on law enforcement or judicial data, it applies a proxy-based methodology to identify red-flags in company ownership structures that may signal potential criminal influence. …”
Get full text

Core thermal profiling application in additional geology structure appraisal of Permian-Carboniferous deposits at Usinsk oil field by E. Yu. Popov, E. M. Chekhonin, S. S. Safonov, S. O. Ursegov, I. P. Gurbatova

“…The experimental data demonstrated essential variations of the thermal properties along the wells at a scale of 0,005 up to dozens of meters that provided new possibilities for the detailed analysis of the reservoir heterogeneity within a frame of the additional study of the oil field geological structure. …”
Get full text

Rate and Structure of Mortality from Malignant Neopasms of Lymphatic and Haematopoietic Tissue in the Regions of the Republic of Bashkortostan (2006–2015) by R. A. Maier, A. F. Baibulatova, B. A. Bakirov

“…In this connection, an analysis of mortality due to malignant neoplasms of lymphatic and hematopoietic tissues is a relevant activity.Materials and methods. We analysed data showing the dynamic rate and structure of mortality from malignant neoplasms of lymphatic and haematopoietic tissues in the Republic of Bashkortostan both of the population as a whole and persons of working age. …”
Get full text

Species Composition, Structure, and Regeneration Status of Woody Plants and Anthropogenic Disturbances in Zijje Maryam Church Forest, Ethiopia by Amare B. Mekonnen, Wubetie A. Wassie, Habtemaryam Ayalew, Berhane G. Gebreegziabher

“…Our current study was conducted in Zijje Maryam Church Forest, Ethiopia, to explore woody species composition, structure, regeneration status, and anthropogenic disturbances inside the sacred groves. …”
Get full text

The multidimensional space of the integral characteristics of biocenotic assemblages: invariance of its structure relative to various measures (and units) of these characteristics by Igor V. Volvenko

“…There is shown on cited data and original data analysis that such structures are typical for stable state of biocenotic systems and the laws and processes of their forming do not depend on observer - i.e. on measures and units describing the major integral characteristics of these systems.…”
Get full text

The Socio-Economic Structure of Farmers Related to Organic Olive Cultivation and The Knowledge Level and Approaches Towards Organic Agriculture by Damla Özsayın, Sibel Tan, Bengü Everest

“…In this study, it was aimed to examine of socio-economic structure of farmers related to organic olive cultivation activity in Gökçeada district of Çanakkale province in Turkey and to determine the knowledge level and approaches towards their organic agriculture. …”
Get full text