A5047461991- Protein Structure and Dynamics
- Hemoglobin structure and function
- Malaria Research and Control
- Suicide and Self-Harm Studies
- COVID-19 epidemiological studies
- Spectroscopy and Quantum Chemical Studies
- Complement system in diseases
- Photosynthetic Processes and Mechanisms
- Genetic Associations and Epidemiology
- Machine Learning in Healthcare
- Mosquito-borne diseases and control
- SARS-CoV-2 and COVID-19 Research
- Viral Infections and Outbreaks Research
- Prostate Cancer Diagnosis and Treatment
- Photoreceptor and optogenetics research
- Bacteriophages and microbial interactions
- Immune Cell Function and Interaction
- Lysosomal Storage Disorders Research
- RNA and protein synthesis mechanisms
- Health disparities and outcomes
- Enzyme Structure and Function
- Genomics and Phylogenetic Studies
- HIV Research and Treatment
- Viral Infections and Vectors
- Mass Spectrometry Techniques and Applications
George Washington University
2025
Los Alamos National Laboratory
2015-2024
Center for Global Health
2024
University of New Mexico
2024
University of Utah
2022-2023
Virginia Commonwealth University
2023
Huntsman (United States)
2023
Janssen (United States)
2022
Vanderbilt University
2022
Tulane University
2022
Protein functions require conformational motions. We show here that the dominant motions are slaved by hydration shell and bulk solvent. The protein contributes structure necessary for function. formulate a model is based on experiments, insights from physics of glass-forming liquids, concepts hierarchically organized energy landscape. To explore effect external fluctuations dynamics, we measure in solvent with broadband dielectric spectroscopy compare them internal measured Mössbauer...
Protein motions are essential for function. Comparing protein processes with the dielectric fluctuations of surrounding solvent shows that they fall into two classes: nonslaved and slaved. Nonslaved independent motions; their rates determined by conformation vibrational dynamics. Slaved tightly coupled to solvent; have approximately same temperature dependence as rate fluctuations, but smaller. Because is activation enthalpy, we propose responsible whereas hydration shell control entropy...
The concept that proteins exist in numerous different conformations or conformational substates, described by an energy landscape, is now accepted, but the dynamics incompletely explored. We have previously shown large-scale protein motions, such as exit of a ligand from interior, follow dielectric fluctuations bulk solvent. Here, we demonstrate, using mean-square displacements (msd) Mossbauer and neutron-scattering experiments, hydration shell control fast protein. call first type...
The grail of protein science is the connection between structure and function. For myoglobin (Mb) this goal close. Described as only a passive dioxygen storage in texts, we argue here that Mb actually an allosteric enzyme can catalyze reactions among small molecules. Studies structural, spectroscopic, kinetic properties lead to model relates structure, energy landscape, dynamics, functions miniature chemical reactor, concentrating orienting diatomic molecules such NO, CO, O 2 , H highly...
Proteins, the workhorses of living systems, are constructed from chains amino acids, which synthesized in cell based on instructions genetic code and then folded into working proteins. The time for folding varies microseconds to hours. What controls rate is hotly debated. We postulate here that has same temperature dependence as alpha-fluctuations bulk solvent but much slower. call this behavior slaving. Slaving been observed proteins: Large-scale protein motions follow fluctuations with...
Escape from T cell–mediated immune responses affects the ongoing evolution of rapidly evolving viruses such as HIV. By applying statistical approaches that account for phylogenetic relationships among viral sequences, we show lineage effects rather than escape often explain apparent human leukocyte antigen (HLA)–mediated immune-escape mutations defined by older analysis methods. Phylogenetically informed methods identified immune-susceptible locations with greatly improved accuracy, and...
While astrocytes, the most abundant cells found in brain, have many diverse functions, their role lysosomal storage disorder Gaucher disease (GD) has not been explored. GD, resulting from inherited deficiency of enzyme glucocerebrosidase and subsequent accumulation glucosylceramide its acylated derivative glucosylsphingosine, both non-neuronopathic (GD1) neuronopathic forms (GD2 3). Furthermore, mutations GBA1, gene mutated are an important risk factor for Parkinson's (PD). To elucidate...
Importance Primary prevention of atherosclerotic cardiovascular disease (ASCVD) relies on risk stratification. Genome-wide polygenic scores (PRSs) are proposed to improve ASCVD estimation. Objective To determine whether genome-wide PRSs for coronary artery (CAD) and acute ischemic stroke estimation with traditional clinical factors in an ancestrally diverse midlife population. Design, Setting, Participants This was a prognostic analysis incident events retrospectively defined longitudinal...
Abstract We present an ensemble transfer learning method to predict suicide from Veterans Affairs (VA) electronic medical records (EMR). A diverse set of base models was trained a binary outcome constructed reported suicide, attempt, and overdose diagnoses with varying choices study design prediction methodology. Each model used twenty cross-sectional 190 longitudinal variables observed in eight time intervals covering 7.5 years prior the prediction. Ensembles seven were created fine-tuned...
ABSTRACT Background/Aims Predictive models of suicide risk have focused on predictors extracted from structured data found in electronic health records (EHR), with limited consideration predisposing life events (LE) expressed unstructured clinical text such as housing instability and marital troubles. Additionally, there has been work large-scale analysis natural language processing (NLP) derived for integration LE into longitudinal risk. This study aims to expand upon previous research,...
Anorexia nervosa is an eating disorder characterized by severely low body weight due to psychological reasons. Its presentation and ideal management may differ depending on the cultural background of patient. We present a 52-year-old female East Asian descent with unique anorexia takotsubo cardiomyopathy. An extensive medical workup revealed no abnormalities, she reported negative answers most questions posed in screening surveys, wished be discharged against advice despite having BMI 10...