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Wyniki wyszukiwania dla: CASP, COVID, EMA, MODEL ACCURACY, PROTEIN STRUCTURE PREDICTION, SARS-COV-2
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Modeling SARS‐CoV‐2 proteins in the CASP‐commons experiment
PublikacjaCritical Assessment of Structure Prediction (CASP) is an organization aimed at advancing the state of the art in computing protein structure from sequence. In the spring of 2020, CASP launched a community project to compute the structures of the most structurally challenging proteins coded for in the SARS-CoV-2 genome. Forty-seven research groups submitted over 3000 three-dimensional models and 700 sets of accuracy estimates on...
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On the deformation and frequency analyses of SARS-CoV-2 at nanoscale
PublikacjaThe SARS-CoV-2 virus, which has emerged as a Covid-19 pandemic, has had the most significant impact on people's health, economy, and lifestyle around the world today. In the present study, the SARS-CoV-2 virus is mechanically simulated to obtain its deformation and natural frequencies. The virus under analysis is modeled on a viscoelastic spherical structure. The theory of shell structures in mechanics is used to derive the governing...
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t-SNE Highlights Phylogenetic and Temporal Patterns of SARS-CoV-2 Spike and Nucleocapsid Protein Evolution
PublikacjaWe propose applying t-distributed stochastic neighbor embedding to protein sequences of SARS-CoV-2 to construct, visualize and study the evolutionary space of the coronavirus. The basic idea is to explore the COVID-19 evolution space by using modern manifold learning techniques applied to evolutionary distances between variants. Evolutionary distances have been calculated based on the structures of the nucleocapsid and spike proteins.
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The Efficacious Benefit of 25-Hydroxy Vitamin D to Prevent COVID-19: An In-Silico Study Targeting SARS-CoV-2 Spike Protein
PublikacjaThe environment has rapidly looked at proven specialist task forces in the aftermath of the COVID-19 pandemic to build public health policies and measures to mitigate the effects of emerging coronaviruses. According to the researchers, taking 10 μg of 25-hydroxy vitamin D daily is recommended to keep us safe. There have been several studies recently indicating that there is a reduced risk of contracting Coronavirus by 25-hydroxy...
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Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: Their in silico assessment as potential ligands for N-protein of SARS-CoV-2
PublikacjaIn view of recent global pandemic the 3-alkynyl substituted 2-chloroquinoxaline framework has been explored as a potential template for the design of molecules targeting COVID-19. Initial in silico studies of representative compounds to assess their binding affinities via docking into the N-terminal RNA-binding domain (NTD) of N-protein of SARS-CoV-2 prompted further study of these molecules. Thus building of a small library of...
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In silico assessment and sonochemical synthesis of 2-alkynyl 3-chloropyrazines as prospective ligands for SARS-CoV-2
PublikacjaThe recent global pandemic caused by COVID-19 has triggered an intense effort worldwide towards the development of an effective cure for this disease. In our effort we have explored the 2-alkynyl substituted 3-chloropyrazine framework as a potential template for the design of molecules for this purpose. Our strategy was supported by the in silico studies of representative compounds to assess their binding affinities via docking...
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Targeting Spike‐ACE2 Interface of SARS‐CoV‐2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
PublikacjaThe recent COVID pandemic has shown major impact on public health and economic crisis. Despite the development of many vaccines and drugs against the severe acute respiratory syndrome (SARS) coronavirus 2, the pandemic still persists. The continued spread of the virus is largely driven by the emergence of viral variants such as α, β, γ, delta, epsilon spike, omicron and its subvariants (BA.1,2,3) which can evade the current vaccines...
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
PublikacjaThe genome feature of SARS-CoV-2 leads the virus to mutate and creates new variants of concern. Tackling viral mutations is also an important challenge for the development of a new vaccine. Accordingly, in the present study, we undertook to identify B- and T-cell epitopes with immunogenic potential for eliciting responses to SARS-CoV-2, using computational approaches and its tailoring to coronavirus variants. A total of 47 novel...
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Ocena i predykcja dynamiki epidemii COVID-19 na podstawie obecności wirusa SARS-CoV-2 w ściekach
PublikacjaCOVID-19 - wywołany przez wirusa SARS-CoV-2, prowadzący m.in. do ostrej niewydolności oddechowej, spowodował kryzys w służbie zdrowia i istotne implikacje społeczno-gospodarcze. Główną drogą przenoszenia SARS-CoV-2 jest droga kropelkowa, czyli aerozole z dróg oddechowych, generowane przez kaszel, kichanie i mówienie. Zakażenie SARS-CoV-2 może nie tylko wpływać na układ oddechowy, powodując gorączkę, kaszel, wyciek z nosa, duszność...
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Machine-aided detection of SARS-CoV-2 from complete blood count
PublikacjaThe current gold standard for SARS-CoV-2 detection methods lacks the functionality to perform population screening. Complete blood count (CBC) tests are a cost-effective way to reach a wide range of people – e.g. according to the data of the Central Statistical Office of Poland from 2016, there are 3,000 blood diagnostic laboratories in Poland, and 46% of Polish people have at least one CBC test per year. In our work, we show...
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The SARS‐CoV ‐2 specific IgG antibodies biophotonic sensor
PublikacjaIn this paper, we present the design and the principle of operation of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) specific immunoglobulin G (IgG) biophotonic sensor, which is based on the single-mode telecommunication fiber. We fabricated the sensor head at the face of the single mode fiber-28. Due to the process of bio-functionalization, our sensor has the ability to selectively detect the SARS-CoV-2 specific...
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Enhanced susceptibility of SARS-CoV-2 spike RBD protein assay targeted by cellular receptors ACE2 and CD147: Multivariate data analysis of multisine impedimetric response
PublikacjaSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2) enters the cells through the binding of spike protein to the host cell surface-expressing angiotensin-converting enzyme 2 (ACE2) or by endocytosis mediated by extracellular matrix metalloproteinase inducer (CD147). We present extended statistical studies of the multisine dynamic electrochemical impedance spectroscopy (DEIS) revealing interactions between Spike RBD and...
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Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: Boron-doped diamond, gold and glassy carbon evaluation
PublikacjaThe 21st century has already brought us a plethora of new threats related to viruses that emerge in humans after zoonotic transmission or drastically change their geographic distribution or prevalence. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was first spotted at the end of 2019 to rapidly spread in southwest Asia and later cause a global pandemic, which paralyzes the world since then. We have designed novel...
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Development of potent and effective SARS-CoV-2 main protease inhibitors based on maleimide analogs for the potential treatment of COVID-19
PublikacjaIn the present work, we report a new series of potent SARS-CoV-2 Main Protease (Mpro) inhibitors based on maleimide derivatives. The inhibitory activities were tested in an enzymatic assay using recombinant Mpro (3CL Protease from coronavirus SARS-CoV-2). Within the set of new Mpro inhibitors, 6e demonstrated the highest activity in the enzymatic assay with an IC50 value of 8.52 ± 0.44 mM. The IC50 value for Nirmatrelvir (PF-07321332,...
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Projektowanie i budowa w czasie zagrożenia SARS-CoV-2-webinar
Kursy OnlineProjektowanie i budowa w czasie zagrożenia SARS-CoV-2 - webinar prowadzący: dr inż. Marcin Szczepański oraz goście online
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
PublikacjaAn important stage in severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) life cycle is the binding of the spike (S) protein to the angiotensin converting enzyme-2 (ACE2) host cell receptor. Therefore, to explore conserved features in spike protein dynamics and to identify potentially novel regions for drugging, we measured spike protein variability derived from 791 viral genomes and studied its properties by molecular...
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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
PublikacjaWe present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody–antigen complexes, and 7 large assemblies. On average 70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target. A total of 21 941 models submitted by these groups...
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Bioactive hybrid metal-organic framework (MOF)-based nanosensors for optical detection of recombinant SARS-CoV-2 spike antigen
PublikacjaFast, efficient, and accurate detection of SARS-CoV-2 spike antigen is pivotal to control the spread and reduce themortality of COVID-19. Nevertheless, the sensitivity of available nanobiosensors to detect recombinant SARS-CoV-2 spike antigen seems insufficient. As a proof-of-concept, MOF-5/CoNi2S4 is developed as a low-cost, safe, and bioactive hybrid nanostructure via the one-pot high-gravity protocol. Then, the porphyrin, H2TMP,...
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Multivalent Display of SARS-CoV-2 Spike (RBD Domain) of COVID-19 to Nanomaterial, Protein Ferritin Nanocages
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Mitigation effect of face shield to reduce SARS-CoV-2 airborne transmission risk: Preliminary simulations based on computed tomography
PublikacjaWe aimed to develop a model to quantitatively assess the potential effectiveness of face shield (visor) in reducing airborne transmission risk of the novel coronavirus SARS-CoV-2 during the current COVID-19 pandemic using the computational fluid dynamics (CFD) method. The studies with and without face shield in both an infected and healthy person have been considered in indoor environment simulation. In addition to the influence...
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Mitigation effect of face shield to reduce SARS-CoV-2 airborne transmission risk: Preliminary simulations based on computed tomography
PublikacjaWe aimed to develop a model to quantitatively assess the potential effectiveness of face shield (visor) in reducing airborne transmission risk of the novel coronavirus SARS-CoV-2 during the current COVID-19 pandemic using the computational fluid dynamics (CFD) method. The studies with and without face shield in both an infected and healthy person have been considered in indoor environment simulation. In addition to the influence...
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Awaryjne przekształcenia architektury szpitali w warunkach pandemii SARS-CoV-2
PublikacjaBudynki szpitalne zwyczajowo projektowane są z uwzględnieniem standardowego obłożenia usługami medycznymi. Wystąpienie zdarzenia masowego, takiego jak katastrofa naturalna, konflikt militarny czy epidemia sprawia, że liczba osób wymagających hospitalizacji gwałtownie wzrasta, przekraczając możliwości działania szpitali w sposób prawidłowy. Analiza historii pandemii SARS-CoV-2 wykazuje, że większość systemów ochrony zdrowia nie...
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Low-volume label-free SARS-CoV-2 detection with the microcavity-based optical fiber sensor
PublikacjaAccurate and fast detection of viruses is crucial for controlling outbreaks of many diseases; therefore, to date, numerous sensing systems for their detection have been studied. On top of the performance of these sensing systems, the availability of biorecognition elements specific to especially the new etiological agents is an additional fundamental challenge. Therefore, besides high sensitivity and selectivity, such advantages...
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Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2
PublikacjaWe combine molecular dynamics, statistical mechanics, and hybrid quantum mechanics/molecular mechanics simulations to describe mechanistically the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA-dependent RNA polymerase (RdRp). Our study analyzes the binding mode of both natural triphosphate substrates as well as remdesivir triphosphate (the active form of drug), which is bound preferentially over ATP by RdRp while...
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Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment
PublikacjaWe present the results for CAPRI Round 50, the 4th joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of 12 targets, including 6 dimers, 3 trimers, and 3 higher-order oligomers. Four of these were easy targets, for which good structural templates were available either for the full assembly, or for the main interfaces (of the higher-order oligomers). Eight were difficult targets for which only distantly...
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Theoretical Investigation of the Coronavirus SARS-CoV-2 (COVID-19) Infection Mechanism and Selectivity
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Characterization of Structural and Energetic Differences between Conformations of the SARS-CoV-2 Spike Protein
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Dependence of biological sensing on temperature based on investigation of SARS-CoV-2
Dane BadawczePresented dataset is the result of an investigation of the attachment of SARS-CoV-2 specific IgG in the temepratures relevant in biology. The samples were measured during a period of 15 minutes, at 5°C, 25°C and 55°C. The measurements were performed using the microspher-based fiber-optic sensor, as an interferometer. The broadband optical light source...
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SARS-CoV-2 Cluster in Nursery, Poland
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THE PROTECTIVE MEASURES AGAINST SARS-COV-2 INFECTION IN THE SEAFOOD COMPANY FROM THE PERSPECTIVE OF THE EMPLOYEES
PublikacjaPurpose: To identify and discuss the protective measures implemented to prevent SARS-CoV-2 infection among employees. Design/methodology/approach: The four-stage course of research. Case study and structured interviews with all employees, directly and indirectly, involved in food processing. Research questions: (R1) What measures have been taken to prevent the risk of infection among employees? (R2) What activities and responsibilities...
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
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CaZnO-based nanoghosts for the detection of ssDNA, pCRISPR and recombinant SARS-CoV-2 spike antigen and targeted delivery of doxorubicin
PublikacjaOverexpression of proteins/antigens and other gene-related sequences in the bodies could lead to significant mutations and refractory diseases. Detection and identification of assorted trace concentrations of such proteins/antigens and/or gene-related sequences remain challenging, affecting different pathogens and making viruses stronger. Correspondingly, coronavirus (SARS-CoV-2) mutations/alterations and spread could lead to overexpression...
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t-SNE Highlights Phylogenetic and Temporal Patterns of SARS-CoV-2 Spike and Nucleocapsid Protein Evolution
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Plants sources of vitamins against SARS-CoV-2
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Tweet you right back: Follower anxiety predicts leader anxiety in social media interactions during the SARS-CoV-2 pandemic
PublikacjaRecent research has shown that organizational leaders’ tweets can influence employee anxiety. In this study, we turn the table and examine whether the same can be said about followers’ tweets. Based on emotional contagion and a dataset of 108 leaders and 178 followers across 50 organizations, we infer and track state- and trait-anxiety scores of participants over 316 days, including pre- and post the onset of the SARS-CoV-2 pandemic...
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In Reference to The Challenges of Pharmacotherapy of SARS-CoV-2 Infection in Patients With Sudden Sensorineural Hearing Loss Due to COVID-19
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In silico assessment and sonochemical synthesis of 2-alkynyl 3-chloropyrazines as prospective ligands for SARS-CoV-2
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Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: their in silico assessment as potential ligands for N-protein of SARS-CoV-2
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Recommendations for primary healthcare doctors for the management of acute respiratory infections in children during the SARS-CoV-2 pandemic – COVID COMPASS
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Molecular modeling study of tectoquinone and acteoside from Tectona grandis linn: a new SARS-CoV-2 main protease inhibitor against COVID-19
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Can the SARS-CoV-2 virus damage human hearing and balance?
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Assessment of anti‐SARS‐CoV‐2 antibodies level in convalescents plasma
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Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2
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Links between Vitamin K, Ferroptosis and SARS-CoV-2 Infection
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Social health of people with dementia during the SARS-CoV-2 pandemic
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SARS-CoV-2 infection and SLE: endothelial dysfunction, atherosclerosis, and thrombosis
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Impact of Sars-Cov-2 virus on Maritime Traffic in the Port of Ploce
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High resolution XPS analysis of BDD electrode functionalization steps towards SARS-CoV-2 detection
Dane BadawczeThis dataset contains the results of the high-resolution XPS analyses of a set of boron-doped diamond (BDD) electrodes after consecutive functionalization steps toward anchoring of a receptor capable of SARS-CoV-2 virus detection. The analysis was carried out in the binding energy range of C1s, N1s, O1s, Ni2p3/2. The measurements were carried out on...
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Children were less frequently infected with SARS-CoV-2 than adults during 2020 COVID-19 pandemic in Warsaw, Poland
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New approach in SARS-CoV-2 surveillance using biosensor technology: a review
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New approach in SARS-CoV-2 surveillance using biosensor technology: a review
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The SARS-CoV-2 and mental health: From biological mechanisms to social consequences
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Food sources of natural antioxidants for body defense against SARS-CoV-2
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Orchiepididymitis in a 14-year-old boy with concurrent SARS-CoV-2 infection
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Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
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Impact of temperature on optical sensing in biology based on investigation of SARS‐CoV ‐2
PublikacjaIn this paper, we present an investigation of the influence of the temperature on the sensing of biological samples. We used biofunctionalized microsphere-based fiber-optic sensor to detect immunoglobulin G attached to the sensor head at temperatures relevant in biological research: 5°C, 25°C, and 55°C. The construction of the sensor allowed us to perform measurements in the small amount of solution. The results of our experiment...
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Association between the seroprevalence of antibodies against seasonal alphacoronaviruses and SARS-CoV-2 humoral immune response, Covid-19 severity, and influenza vaccination.
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Porównanie efektów nauczania przed i w czasie nauki zdalnej spowodowanej pandemią SARS-CoV-2 na przykładzie przedmiotu Metrologia
PublikacjaPrzedmiot Metrologia jest wykładany na semestrze drugim na trzech kierunkach na Wydziale Elektroniki, Telekomunikacji i Informatyki Politechniki Gdańskiej. W ramach wykładu studenci poznają problematykę dokonywania pomiarów. W kolejnym semestrze, przekładają zdobytą teoretycznie wiedzę na praktykę, wykonując pomiary w laboratorium. Z uwagi na wybuch pandemii SARS-CoV-2 w 2020 roku oraz...
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The Influence of SARS-CoV-2 Variants B.1.1.7 and B.1.617.2 on a Different Clinical Course and Severity of COVID-19 in Children Hospitalized in 2021 Compared With 2020
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Psychopathological Symptoms Among Chronically Ill Patients During SARS-CoV-2 Pandemic in Poland
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SARS-CoV-2 pandemic and the population with dementia. Recommendations under the auspices of the Polish Psychiatric Association
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Virtual screening for small molecular non-covalent binders of the SARS-CoV-2 main protease
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Nutritional behaviors of women and men in Poland during confinement related to the SARS-CoV-2 epidemic
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Nutritional Behaviors of Women and Men in Poland During Confinement Related to the SARS-CoV-2 Epidemic
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COVID‐19: A systematic review and update on prevention, diagnosis, and treatment
PublikacjaSince the rapid onset of the COVID-19 or SARS-CoV-2 pandemic in the world in 2019, extensive studies have been conducted to unveil the behavior and emission pattern of the virus in order to determine the best ways to diagnosis of virus and thereof formulate effective drugs or vaccines to combat the disease. The emergence of novel diagnostic and therapeutic techniques considering the multiplicity of reports from one side and contradictions...
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
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Mental Health Impact of SARS-COV-2 Pandemic on Long-Term Care Facility Personnel in Poland
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Changes in Eating Behaviour during SARS-CoV-2 Pandemic among the Inhabitants of Five European Countries
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Sylwester Kaczmarek dr hab. inż.
OsobySylwester Kaczmarek ukończył studia w 1972 roku jako mgr inż. Elektroniki, a doktorat i habilitację uzyskał z technik komutacyjnych i inżynierii ruchu telekomunikacyjnego w 1981 i 1994 roku na Politechnice Gdańskiej. Jego zainteresowania badawcze ukierunkowane są na: sieci IP QoS, sieci GMPLS, sieci SDN, komutację, ruting QoS, inżynierię ruchu telekomunikacyjnego, usługi multimedialne i jakość usług. Aktualnie jego badania skupiają...
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Taurine as a water structure breaker and protein stabilizer
PublikacjaThe enhancing effect on the water structure has been confirmed for most of the osmolytes exhibiting both stabilizing and destabilizing properties in regard to proteins. The presented work concerns osmolytes, which should be classified as “structure breaking” solutes: taurine and N,N,N-trimethyltaurine (TMT). Here, we combine FTIR spectroscopy, DSC calorimetry and DFT calculations to gain an insight into the interactions between...
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Structural and Evolutionary Analysis Indicate that the SARS-CoV-2 Mpro is an Inconvenient Target for Small-Molecule Inhibitors Design
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Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design
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Impact of the SARS-CoV-2 pandemic on emergency surgery services—a multi-national survey among WSES members
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Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field
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Recent improvements in prediction of protein structure by global optimization of a potential energy function
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Influence of Osmolytes on Protein and Water Structure: A Step To Understanding the Mechanism of Protein Stabilization
PublikacjaResults concerning the thermostability of hen egg white lysozyme in aqueous solutions with stabilizing osmolytes, trimethylamine-N-oxide (TMAO), glycine (Gly), and its N-methyl derivatives, N-methylglycine (NMG), N,N-dimethylglycine (DMG), and N,N,N-trimethylglycine (betaine, TMG), have been presented. The combination of spectroscopic (IR) and calorimetric (DSC) data allowed us to establish a link between osmolytes’ influence on...
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Experimental dataset on detection of SARS-CoV-2 specific IgG antibodies by the fiber optic microsphere-based sensor
Dane BadawczeThe presented dataset is related to experimental detection of the ARS-CoV-2 specific IgG antibodies by the fibre optic microsphere-based sensor. To perform measurement we used a dedicated microsphere-based probe whose surface was immobilized.
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Mental Health Consequences of SARS-CoV-2 Pandemic on Long-Term Care Facility Social Care Provider in Poland
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The psychological burden of long-term care facilities personnel during the SARS-COV-2 pandemic – a national survey in poland
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A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine
PublikacjaRNA protein interactions (RPI) play a pivotal role in the regulation of various biological processes. Experimental validation of RPI has been time-consuming, paving the way for computational prediction methods. The major limiting factor of these methods has been the accuracy and confidence of the predictions, and our in-house experiments show that they fail to accurately predict RPI involving short RNA sequences such as TERRA RNA....
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Structure-based design and evaluation of novel N-phenyl-1H-indol-2-amine derivatives for fat mass and obesity-associated (FTO) protein inhibition
PublikacjaFat mass and obesity-associated (FTO) protein contributes to non-syndromic human obesity which refers to excessive fat accumulation in human body and results in health risk. FTO protein has become a promising target for anti-obesity medicines as there is an immense need for the rational design of potent inhibitors to treat obesity. In our study, a new scaffold N-phenyl-1H-indol-2-amine was selected as a base for FTO protein inhibitors...
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An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
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2-hydroxypropanammonium benzenethiolate
PublikacjaZwiązek o wzorze C3H10ON+ x C6H5S- został otrzymany poprzez reakcję tiofenolu z 2-hydroksypropyloaminą. Oba fragmenty jonowe powiązane są wiązaniami wodorowymi N-H...S, O-H...S i N-H...O. Strukturę cząsteczkową i krystaliczną wyznaczono posługując się rentgenowską analizą strukturalną.
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Parametrization of Backbone−Electrostatic and Multibody Contributions to the UNRES Force Field for Protein-Structure Prediction from Ab Initio Energy Surfaces of Model Systems
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SARS-CoV-2 infection in patients treated with azacitidine and venetoclax for acute leukemia – a report of a case series treated in a single institution
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UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
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Does Mental Health Affect the Decision to Vaccinate Against SARS-CoV-2? A Cross-Sectional Nationwide Study Before the Vaccine Campaign
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Clinical studies of detecting COVID-19 from exhaled breath with electronic nose
PublikacjaThe COVID‑19 pandemic has attracted numerous research studies because of its impact on society and the economy. The pandemic has led to progress in the development of diagnostic methods, utilizing the polymerase chain reaction (PCR) as the gold standard for coronavirus SARS‑CoV‑2 detection. Numerous tests can be used at home within 15 min or so but of with lower accuracy than PCR. There is still a need for point‑of‑care tests available...
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JOURNAL OF MOLECULAR STRUCTURE
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Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information
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Magnetic structure and properties of the S=5/2 triangular antiferromagnet - NaFeO2
PublikacjaWłaściwości magnetyczne związku NaFeO2 badane były za pomocą techniki dyfrakcji neutronowskiej i poprzez pomiar podatności magnetycznej.
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The Portrait of Cyberchondria—A Cross-Sectional Online Study on Factors Related to Health Anxiety and Cyberchondria in Polish Population during SARS-CoV-2 Pandemic
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A. Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease(2020).
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Successful Treatment of Persistent SARS-CoV-2 Infection in a B-Cell Depleted Patient with Activated Cytotoxic T and NK Cells: A Case Report
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Polish Academic Libraries in the Face of the Covid-19 Pandemic: Crisis Management and Communication within the Organisation
PublikacjaThe developing SARS-CoV-2 coronavirus pandemic, which was announced in March 2020, has had a significant impact on the activities of universities and their academic libraries. The article aims to present the activities of academic libraries at the time of introducing restrictions on their activities and closing for several months to users and reformulating the services they provide, on the example of the Library of the Gdańsk University...
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Crystal Structure of N-(2-Benzoyl-4,5-dimethoxyphenethyl)-2-phenylacetamide
PublikacjaThe crystal structure of N-(2-benzoyl-4,5-dimethoxyphenethyl)-2-phenylacetamide indicates that the compound crystallizes in the monoclinic C2/c space group with eight molecules in the unit cell. The heteroatoms from the amide group form a chain of intermolecular N-H ··· O hydrogen bonds propagating along the b axis. The carbonyl group from the benzoyl substituent participates in short contacts with two H-atoms from the ethyl or...
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Mathematical analysis of a generalised p53-Mdm2 protein gene expression model
PublikacjaWe propose the generalisation of the p53-Mdm2 protein gene expression model introduced by Monk (2003). We investigate the stability of a unique positive steady state and formulate conditions which guarantee the occurrence of the Hopf bifurcation. We show that oscillatory behaviour can be caused not only by time lag in protein transcription process, but also can be present in the model without time delay. Moreover, we investigate...
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A. Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease(2020). Focused on analysis of the Medicinal plants that have potential therapeutic ability against COVID-19.
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Blind prediction of homo‐ and hetero‐protein complexes: The CASP13‐CAPRI experiment
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Machine learning-based prediction of residual drift and seismic risk assessment of steel moment-resisting frames considering soil-structure interaction
PublikacjaNowadays, due to improvements in seismic codes and computational devices, retrofitting buildings is an important topic, in which, permanent deformation of buildings, known as Residual Interstory Drift Ratio (RIDR), plays a crucial role. To provide an accurate yet reliable prediction model, 32 improved Machine Learning (ML) algorithms were considered using the Python software to investigate the best method for estimating Maximum...