David J. Weber
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View article: Bile Acids Are Potential Negative Allosteric Modulators of M1 Muscarinic Receptors
Bile Acids Are Potential Negative Allosteric Modulators of M1 Muscarinic Receptors Open
The proposed physiological roles of bile acids have expanded beyond the digestion of fats to encompass cell signaling via the activation of a variety of nuclear and plasma membrane receptors in multiple organ systems. The current in silico…
View article: Fomite workshop recommendations addressing the role of surfaces in virus transmission in the built environment
Fomite workshop recommendations addressing the role of surfaces in virus transmission in the built environment Open
The emergence of SARS-CoV-2 has led to a need to assess the role of fomites in viral transmission within the built environment. Assessing the role of fomites is necessary for developing intervention strategies for controlling emerging path…
View article: Pore formation by the CDTb component of the Clostridioides difficile binary toxin is Ca2+-dependent
Pore formation by the CDTb component of the Clostridioides difficile binary toxin is Ca2+-dependent Open
View article: Hierarchical AF2RAVE for multi-conformation virtual screening targeting S100 Ca$^{2+}$-binding proteins
Hierarchical AF2RAVE for multi-conformation virtual screening targeting S100 Ca$^{2+}$-binding proteins Open
Protein function is driven by transitions between metastable conformations, many of which are not conserved across homologs, offering opportunities for selective drug design. Accurately modeling both backbone and sidechain metastability an…
View article: School Masking Policies and Secondary SARS-CoV-2 Transmission.
School Masking Policies and Secondary SARS-CoV-2 Transmission. Open
OBJECTIVES: Throughout the COVID-19 pandemic, masking has been a widely used mitigation practice in kindergarten through 12th grade (K-12) school districts to limit within-school transmission. Prior studies attempting to quantify the impac…
View article: The feasibility of procalcitonin and CPIS score to reduce inappropriate antibiotics use among severe-critically ill COVID-19 pneumonia patients: A pilot study
The feasibility of procalcitonin and CPIS score to reduce inappropriate antibiotics use among severe-critically ill COVID-19 pneumonia patients: A pilot study Open
View article: High Throughput Ligand Dissociation Kinetics Predictions using Site-Identification by Ligand Competitive Saturation
High Throughput Ligand Dissociation Kinetics Predictions using Site-Identification by Ligand Competitive Saturation Open
The dissociation or off rate, koff, of a drug molecule has been shown to be more relevant to efficacy than affinity for selected systems motivating the development of predictive computational methodologies. These are largely based on enhan…
View article: Thermal proteome profiling and proteome analysis using high‐definition mass spectrometry demonstrate modulation of cholesterol biosynthesis by next‐generation galeterone analog <scp>VNPP</scp>433‐3β in castration‐resistant prostate cancer
Thermal proteome profiling and proteome analysis using high‐definition mass spectrometry demonstrate modulation of cholesterol biosynthesis by next‐generation galeterone analog <span>VNPP</span>433‐3β in castration‐resistant prostate cancer Open
Cholesterol (CHOL) homeostasis is significantly modulated in prostate cancer (PCa) suggesting an active role in PCa development and progression. Several studies indicate a strong correlation between elevated CHOL levels and increased PCa r…
View article: Emerging infectious diseases, focus on infection prevention, environmental survival and germicide susceptibility: SARS-CoV-2, Mpox, and Candida auris
Emerging infectious diseases, focus on infection prevention, environmental survival and germicide susceptibility: SARS-CoV-2, Mpox, and Candida auris Open
View article: Explainable and Class-Revealing Signal Feature Extraction via Scattering Transform and Constrained Zeroth-Order Optimization
Explainable and Class-Revealing Signal Feature Extraction via Scattering Transform and Constrained Zeroth-Order Optimization Open
We propose a new method to extract discriminant and explainable features from a particular machine learning model, i.e., a combination of the scattering transform and the multiclass logistic regression. Although this model is well-known fo…
View article: P-258. A Longitudinal Study on the Impact of Sink Interventions on Environmental Bioburden and Patient Infections within Two Intensive Care Units at an Academic Hospital
P-258. A Longitudinal Study on the Impact of Sink Interventions on Environmental Bioburden and Patient Infections within Two Intensive Care Units at an Academic Hospital Open
Background Patient room sinks are frequently identified as potential sources for hospital-associated infections (HAIs), but there are no clear recommendations for interventions to reduce sink-related pathogenic bioburden. We conducted one …
View article: High Throughput Ligand Dissociation Kinetics Predictions using Site-Identification by Ligand Competitive Saturation
High Throughput Ligand Dissociation Kinetics Predictions using Site-Identification by Ligand Competitive Saturation Open
The dissociation or off rate, koff, of a drug molecule has been shown to be more relevant to efficacy than affinity for selected systems motivating the development of predictive computational methodologies. These are largely based on enhan…
View article: Less Is More: The Influence of Pruning on the Explainability of CNNs
Less Is More: The Influence of Pruning on the Explainability of CNNs Open
Over the last century, deep learning models have become the state-of-the-art for solving complex computer vision problems. These modern computer vision models have millions of parameters, which presents two major challenges: 1) the increas…
View article: Mitophagosomes induced during EV-D68 infection promote viral nonlytic release
Mitophagosomes induced during EV-D68 infection promote viral nonlytic release Open
Enterovirus-D68 (EV-D68) is a plus-strand RNA virus that primarily causes infant respiratory infections. In rare pediatric cases, infection with EV-D68 has been associated with acute flaccid myelitis, a polio-like paralytic disease. We hav…
View article: The impact of minimally invasive surgical approaches on surgical-site infections
The impact of minimally invasive surgical approaches on surgical-site infections Open
We performed a literature review to describe the risk of surgical-site infection (SSI) in minimally invasive surgery (MIS) compared to standard open surgery. Most studies reported decreased SSI rates among patients undergoing MIS compared …
View article: Detection of Putative Ligand Dissociation Pathways in Proteins using Site-Identification by Ligand Competitive Saturation
Detection of Putative Ligand Dissociation Pathways in Proteins using Site-Identification by Ligand Competitive Saturation Open
Drug efficacy often correlates better with dissociation kinetics than binding affinity alone. To study binding kinetics computationally, it is necessary to identify all possible ligand dissociation pathways. The site identification by liga…
View article: Unveiling the intricate role of S100A1 in regulating RyR1 activity: A commentary on “Structural insights into the regulation of RyR1 by S100A1”
Unveiling the intricate role of S100A1 in regulating RyR1 activity: A commentary on “Structural insights into the regulation of RyR1 by S100A1” Open
View article: Structural and Functional Insights into the Delivery Systems of Bacillus and Clostridial Binary Toxins
Structural and Functional Insights into the Delivery Systems of Bacillus and Clostridial Binary Toxins Open
Pathogenic Bacillus and clostridial (i.e., Clostridium and Clostridioides) bacteria express a diverse repertoire of effector proteins to promote disease. This includes production of binary toxins, which enter host epithelial cells and seri…
View article: Exposure to Human-Associated Chemical Markers of Fecal Contamination and Self-Reported Illness among Swimmers at Recreational Beaches
Exposure to Human-Associated Chemical Markers of Fecal Contamination and Self-Reported Illness among Swimmers at Recreational Beaches Open
Anthropogenic chemicals have been proposed as potential markers of human fecal contamination in recreational water. However, to date, there are no published studies describing their relationships with illness risks. Using a cohort of swimm…
View article: Analysis of the FoodNet case-control study of sporadic Salmonella serotype Enteritidis infections using persons infected with other Salmonella serotypes as the comparison group
Analysis of the FoodNet case-control study of sporadic Salmonella serotype Enteritidis infections using persons infected with other Salmonella serotypes as the comparison group Open
Use of well persons as the comparison group for laboratory-confirmed cases of sporadic salmonellosis may introduce ascertainment bias into case-control studies. Data from the 1996-1997 FoodNet case-control study of laboratory-confirmed Sal…
View article: Study of Testosterone & Recombinant Human Growth Hormone in Facioscapulohumeral Muscular Dystrophy
Study of Testosterone & Recombinant Human Growth Hormone in Facioscapulohumeral Muscular Dystrophy Open
View article: Transferts culturels franco-allemands dans les revues homosexuelles Der Eigene et Akademos (1896-1909)
Transferts culturels franco-allemands dans les revues homosexuelles Der Eigene et Akademos (1896-1909) Open
Le présent article portant sur l'étude des revues Der Eigene, qui paraît à partir de 1896, et Akademos, qui est publiée en 1909, part du constat d'une asymétrie des positions de départ entre la France et l'Allemagne. À cette date, on n'obs…
View article: Reprocessing semicritical items: An overview and an update on the shift from HLD to sterilization for endoscopes
Reprocessing semicritical items: An overview and an update on the shift from HLD to sterilization for endoscopes Open
View article: Dendritic Cell‐Mediated Cross‐Priming by a Bispecific Neutralizing Antibody Boosts Cytotoxic T Cell Responses and Protects Mice against SARS‐CoV‐2
Dendritic Cell‐Mediated Cross‐Priming by a Bispecific Neutralizing Antibody Boosts Cytotoxic T Cell Responses and Protects Mice against SARS‐CoV‐2 Open
Administration of neutralizing antibodies (nAbs) has proved to be effective by providing immediate protection against SARS‐CoV‐2. However, dual strategies combining virus neutralization and immune response stimulation to enhance specific c…
View article: Initial exploration of a novel fusion protein, IL-4/IL-34/IL-10, which promotes cardiac allograft survival mice through alloregulation
Initial exploration of a novel fusion protein, IL-4/IL-34/IL-10, which promotes cardiac allograft survival mice through alloregulation Open
Immune mediated graft loss still represents a major risk to transplant recipients. Creative approaches to immunosuppression that exploit the recipient's own alloregulatory mechanisms could reduce the need for pharmacologic immunosuppressio…
View article: VNLG-152R and its deuterated analogs potently inhibit/repress triple/quadruple negative breast cancer of diverse racial origins in vitro and in vivo by upregulating E3 Ligase Synoviolin 1 (SYVN1) and inducing proteasomal degradation of MNK1/2
VNLG-152R and its deuterated analogs potently inhibit/repress triple/quadruple negative breast cancer of diverse racial origins in vitro and in vivo by upregulating E3 Ligase Synoviolin 1 (SYVN1) and inducing proteasomal degradation of MNK1/2 Open
Triple-negative breast cancer (TNBC) and its recently identified subtype, quadruple negative breast cancer (QNBC), collectively account for approximately 13% of reported breast cancer cases in the United States. These aggressive forms of b…
View article: Membrane binding and pore formation is Ca<sup>2+</sup>-dependent for the<i>Clostridioides difficile</i>binary toxin
Membrane binding and pore formation is Ca<sup>2+</sup>-dependent for the<i>Clostridioides difficile</i>binary toxin Open
The C. difficile binary toxin (CDT) enters host cells via endosomal delivery like many other ‘AB’-type binary toxins. In this study, the cell-binding component of CDT, termed CDTb, was found to bind and form pores in lipid bilayers upon de…
View article: Salinization Dramatically Enhance the Anti-Prostate Cancer Efficacies of AR/AR-V7 and Mnk1/2 Molecular Glue Degraders, Galeterone and VNPP433-3β Which Outperform Docetaxel and Enzalutamide in CRPC CWR22Rv1 Xenograft Mouse Model
Salinization Dramatically Enhance the Anti-Prostate Cancer Efficacies of AR/AR-V7 and Mnk1/2 Molecular Glue Degraders, Galeterone and VNPP433-3β Which Outperform Docetaxel and Enzalutamide in CRPC CWR22Rv1 Xenograft Mouse Model Open
View article: Effects of a hard stop for <i>C. difficile</i> testing: Provider uptake and patient outcomes
Effects of a hard stop for <i>C. difficile</i> testing: Provider uptake and patient outcomes Open
Background: Clostridioides difficile infection (CDI) is a serious healthcare-associated infection responsible for >12,000 US deaths annually. Overtesting can lead to antibiotic overuse and potential patient harm when patients are colonized…
View article: Croquemort elicits activation of the immune deficiency pathway in ticks
Croquemort elicits activation of the immune deficiency pathway in ticks Open
The immune deficiency (IMD) pathway directs host defense in arthropods upon bacterial infection. In Pancrustacea, peptidoglycan recognition proteins sense microbial moieties and initiate nuclear factor-κB-driven immune responses. Proteins …