AnatomyDiseasesAnalytical, Diagnostic and Therapeutic Techniques and EquipmentPhenomena and ProcessesInformation Science
Chordae TendineaeHeart SoundsMitral ValveEncyclopedias as TopicMitral Valve InsufficiencyTricuspid ValvePhonocardiography
ChemistryCalculationsSpectroscopicGraph-theoreticalComputationalBiologyInvestigationArchaeologistSynthesisEmpiricalEquationCrystallographyApproachesLund UniversityFrameworksFunctionalMolecularComplexesStudyExperimental DataSocial and structuralArchitecturesCharacterizationBehaviorAnalysisMethodsStabilityAimsFocusesStudiesProtein structureIntegrityApproachResearchersInteractionsStructureTheoryModelResultsChangeBasicFeaturesPolitical
Chemistry6
  • Moreover, she has served in different scientific committees such as the Irish panel of the ERA-Chemistry panel, the Irish Centre of High-End Computing or the XXIII EFMC-International Symposium in Medicinal Chemistry held in Lisbon in September 2014, and the WATOC Theoretical Chemist conference to be held in Vancouver 2022. (tcd.ie)
  • D 2008 %J Inorganic Chemistry %K axial complex effect effect;spectroelectrochem electrochem ligand ligation nitrosyl porphyrin reaction redox ruthenium study tetraphenylporphyrin %N 16 %P 7106--7113 %R 10.1021/ic702371t %T Redox Properties of Ruthenium Nitrosyl Porphyrin Complexes with Different Axial Ligation: Structural, Spectroelectrochemical (IR, UV-Visible, and EPR), and Theoretical Studies %V 47 %X Exptl. (uni-stuttgart.de)
  • The school aims at giving the necessary background and practical skills for an efficient use of the group-theoretical methods in specific problems of solid-state physics, structural chemistry and material sciences. (crystallography.fr)
  • LUNARC was formed as a collaboration between groups in Theoretical Chemistry, Physical Chemistry 2, and Structural Mechanics in 1986. (lu.se)
  • The Center for Molecular Protein Science (CMPS) brings together scientists active within the fields of biochemistry, molecular biophysics, structural biology, and physical and theoretical chemistry. (lu.se)
  • CMPS is a highly integrated center comprising the divisions of Biochemistry and Structural Biology (Faculty of Science) and Biophysical Chemistry (Faculty of Engineering, LTH). (lu.se)
Calculations2
  • The theoretical calculations were obtained by aid of the HF, DFT/B3LYP and WB97X-D methods with the LANL2DZ basis set. (omu.edu.tr)
  • Density functional theory calculations reveal that the preferen tial interaction of the iodide anion with tellurium is determined by the polarization of the lowest unoccupied molecular orbital [σ*(E−Te)] of the cations in 2a and 2b toward tellurium and that the formation of the dimers 3a and 3b with a central Te−Te linkage is energetically more favorable than the structural isomers with either E−Te or E−E bonds. (jyu.fi)
Spectroscopic3
  • Comparative structural, spectroscopic an. (omu.edu.tr)
  • Structural and spectroscopic studies on 3,5-dinitrosalicylic acid complexes of urotropine and dicyclohexylamine. (nyu.edu)
  • Dive into the research topics of 'Structural and spectroscopic studies on 3,5-dinitrosalicylic acid complexes of urotropine and dicyclohexylamine. (nyu.edu)
Graph-theoretical1
  • Using MRI data, for each participant, we constructed whole-brain interregional connectivity matrices by deterministic tractography and calculated the graph theoretical network measures, including the characteristic path length, global clustering coefficient, small-worldness, and betweenness centrality (BET) in 83 brain regions from the Desikan-Killiany atlas with subcortical segmentation using FreeSurfer. (nature.com)
Computational4
  • Many important results in computational complexity theory, and in particular "structural" complexity theory, have the interesting property that they can be understood as fundamentally following (as I see it. (stackexchange.com)
  • The term structural has the same meaning as in structural biology, and structural bioinformatics can be seen as a part of computational structural biology. (wikipedia.org)
  • Basic theoretical and computational modeling of replicating systems. (uu.se)
  • Development in the area of structural biology methods combined with new computational possibilities has highlighted the importance of combining different methods in order to maximize the output. (lu.se)
Biology4
  • The main objective of structural bioinformatics is the creation of new methods of analysing and manipulating biological macromolecular data in order to solve problems in biology and generate new knowledge. (wikipedia.org)
  • With the rapid progress and improvements in the fields of macromolecular crystallography, Cryo-EM, small angle scattering, electron diffraction and use of XFELs, the new LINXS theme INTEGRATIVE STRUCTURAL BIOLOGY is formed to advance cutting-edge research and to encourage new users to utilize integrative structure biology to address key scientific questions. (lu.se)
  • Both experienced specialists and researchers with more recently established interests in integrative structural biology are expected to greatly benefit from the symposium. (lu.se)
  • Biochemistry & Structural Biology Dep. (lu.se)
Investigation1
  • In this work, we present the detailed theoretical investigation of the structural, electronic and optical properties of transition metal chalcogenides MyXz, (where M = Hf, Zr, Tc or Re), (X = S, Se and Te), y and z are integers. (wits.ac.za)
Archaeologist1
  • Structural archaeologist Geoff Carter's radical view of building in the ancient world, especially the archaeology of the lost timber built environment of Southern England. (blogspot.com)
Synthesis2
  • Synthesis, structural, and density functional theoretical studies). (ncat.edu)
  • Synthesis, Structural, and Photoluminescence Studies of Gd (terpy)(H2O)(NO3) 2M (CN) 2 (M= Au, Ag) Complexes: Multiple Emissions from Intra-and Intermolecular Excimers and Exciplexes). (ncat.edu)
Empirical1
  • These values have structural relationships to substances with known biological activities, not values based on empirical bioassay. (cdc.gov)
Equation3
  • The structural properties of TMCs were studied using energy-volume relationship (equation of states (EOS)), equilibrium structural lattice parameters, formation and cohesive energies were extracted from the EOS. (wits.ac.za)
  • Interrelationships among predictors of automated vehicle acceptance: a structural equation modelling approach. (ying360.net)
  • The present article aims to introduce structural equation modeling, in particular measured variable path models, and discuss their great potential for corpus linguists. (degruyter.com)
Crystallography2
  • Here, I present results from different biological projects where SANS has played a crucial role by providing unique restraints for structural refinement and interpretation, complementary to other techniques (NMR, EM, crystallography). (lu.se)
  • In a first couple of examples, I will show how distance and shape restraints from SANS have helped to improve the uniqueness of structural models for two multi-protein-RNA complexes, in combination with NMR restraints and building blocks from crystallography [1, 2]. (lu.se)
Approaches1
  • This includes experimental, observational, and theoretical approaches. (usra.edu)
Lund University1
  • The founding members were later joined by Theoretical Physics and in 1996, LUNARC was transformed into a centre for scientific and technical computing at Lund University. (lu.se)
Frameworks1
  • Finally, the topological arrangement of interactions, whether strong or weak, and entanglements is being studied in the field of structural bioinformatics, utilizing frameworks such as circuit topology. (wikipedia.org)
Functional3
  • Our computations of the structural, electronic and the optical properties were based on density functional theory (DFT). (wits.ac.za)
  • The structural, mechanical, electronic and thermoelectric properties of the low temperature orthorhombic perovskite phase of CH 3 NH 3 PbI 3 have been investigated using density functional theory (DFT). (epj.org)
  • Experimental characterization of structural and functional properties of biomolecules. (uu.se)
Molecular2
  • Calculating contacts is an important task in structural bioinformatics, being important for the correct prediction of protein structure and folding, thermodynamic stability, protein-protein and protein-ligand interactions, docking and molecular dynamics analyses, and so on. (wikipedia.org)
  • The applications of group-theoretical methods to molecular vibrations including the concept of normal modes of vibrations will be discussed in details. (crystallography.fr)
Complexes1
  • Natural Bond Orbital (NBO) analyses are also performed for scrutinizing the structural properties of the considered complexes. (nsmsi.ir)
Study4
  • It is therefore important to conduct a systematic theoretical study of the structural, electronic and optical properties of the transition metal chalcogenides as possible components of low dimensional transistors or as solar-energy harvesters. (wits.ac.za)
  • Notably, a study with a large sample size (668 participants) showed that higher levels of neuroticism were significantly associated with lower FA in the uncinate, suggesting that higher neuroticism is associated with reduced structural connectivity between the prefrontal cortex and the amygdala 13 . (nature.com)
  • The author mentions that the theoretical model presented in the study elaborates the interdependent and asymmetric effects of inhibiting usage perceptions on HIT usage intentions relative to enabling perceptions. (researchgate.net)
  • Training in the relevant theoretical and experimental methods described for the study of protein structure and dynamics. (lu.se)
Experimental Data1
  • The experimental data compare favorably with the PEA and theoretical results. (cdc.gov)
Social and structural1
  • 2) How can CBPR prevent itself from becoming a gatekeeper to social and structural change? (cdc.gov)
Architectures1
  • Indeed, in the last two decades there have been many parallel outcomes in the theoretical aspects of description and analysis of periodic structures (nets, tilings, surfaces, etc.), in the elaboration of databases, and in the development of software for analyzing and describing (illustrating) topological aspects of both real crystal structures and theoretical extended architectures. (crystallography.fr)
Characterization1
  • The structural characterization of Schiff base compound are confirmed by single crystal X-ray, FT-IR, and UV-vis techniques. (omu.edu.tr)
Behavior1
  • Statistical and visual analyses were used to characterize behavior patterns of key users (opinion leaders, structural hole spanners), and to explore their function in avoiding or breaking topic-based and attitude-based echo chambers. (jmir.org)
Analysis4
  • The most stable structural congurations were used to investigate electronic properties through partial density of states (PDOS) and band structure analysis. (wits.ac.za)
  • Structural bioinformatics is the branch of bioinformatics that is related to the analysis and prediction of the three-dimensional structure of biological macromolecules such as proteins, RNA, and DNA. (wikipedia.org)
  • In this research, mechanical engineering analysis and design were performed to create a model deploying structural unit, using fiberglass reinforced plastic (FRP), for the optimized NIOSH AutoROPS. (cdc.gov)
  • This paper aims to provide a theorical-methodological reflection on non-autonomous and controversial social representations, based on the structural analysis of the social representation of abortion. (bvsalud.org)
Methods1
  • Peter's research in the area of soft matter can reach new dimensions by combining scattering methods with the theoretical and experimental techniques already established here. (lu.se)
Stability1
  • Our results for the magnetic stability, the stable structure, and the structural parameters are in perfect agreement with theoretical calculation and experimental values. (aip.org)
Aims1
  • The course aims to educate students about the social, structural, and political determinants of health globally and in Palestine, providing practical and real-life examples of the obstacles that hinder reaching optimal levels of health and healthcare delivery and exploring strategies to mitigate these obstacles. (who.int)
Focuses1
  • Getting its inspiration from Lennart Schön's theoretical framework, this thesis, instead, focuses on the institutional adaptation to the structural transformation in Britain, assuming that the success of this reaction was ultimately decisive to make the growth long-term and sustained. (lu.se)
Studies1
  • The DNA double helix structure is stabilized by hydrogen bonds formed between base pairs: adenine with thymine (A-T) and cytosine with guanine (C-G). Many structural bioinformatics studies have focused on understanding interactions between DNA and small molecules, which has been the target of several drug design studies. (wikipedia.org)
Protein structure1
  • Protein structure visualization is an important issue for structural bioinformatics. (wikipedia.org)
Integrity1
  • PEA was performed on the parametric model of the composite AutoROPS prototype to ensure its structural integrity under loading conditions, specified by the SAE J2194, and comparable to those of an actual rollover. (cdc.gov)
Approach2
  • It raises questions about the methodological tension between an ethnographic approach, which identifies the site of struggles as the school and government educational authorities, and a post-structural approach, which re-orientates the site of struggles towards the narratives of the school and educational authorities themselves, seeking to disrupt them. (nzcer.org.nz)
  • structural approach. (bvsalud.org)
Researchers1
  • Theoretical Computer Science Stack Exchange is a question and answer site for theoretical computer scientists and researchers in related fields. (stackexchange.com)
Interactions1
  • Structural bioinformatics mainly addresses interactions among structures taking into consideration their space coordinates. (wikipedia.org)
Structure1
  • The target audience is young scientists (graduate students and postdoctoral associates) actively engaged in materials research, (experimental and/or theoretical) but also crystallographers who want to look at familiar structure types with a different eye. (crystallography.fr)
Theory2
  • is as follows: Are there any important results in structural complexity theory (as distinct from "meta-results" like the relativisation barrier) which are not known to have a natural interpretation in terms of efficient algorithms (or communication protocols)? (stackexchange.com)
  • Through a combination of experiment and theory, it was determined that the structural changes are correlated with rotations of the organic ligand. (nist.gov)
Model1
  • The article presents a theoretical model of physician resistance of healthcare information technology (HIT) usage by integrating the technology acceptance and resistance to change literatures with the use of a dual-factor model of technology usage. (researchgate.net)
Results2
  • Our results obtained are discussed within the theoretical frame work and compared with experimental and previous theoretical results where available. (wits.ac.za)
  • Results from the PEA show agreement with the theoretical results obtained by applying structural design theories on the composite AutoROPS. (cdc.gov)
Change1
  • and the skills to use these tools towards structural change and improved health. (who.int)
Basic1
  • gt;Working with the complete scaled dataset to identify basic structural components. (feedburner.com)
Features1
  • The core category to emerge was an Online Sports Betting Loop that was facilitated by new structural features of modern online sports betting such as live betting, cash out, micro-event betting and instant depositing. (springer.com)
Political2
  • The paper discusses some of the theoretical, political, and ethical implications of doing a 'post-structural ethnography"' under these circumstances. (nzcer.org.nz)
  • This thesis examines the reaction of political institutions to the structural transformation of the British economy from 1700 to 1850. (lu.se)