Biochemistry, Biophysics, and Structural Biology Commons^™

Buffer Vs. Swabs: Efficacy Of Carrier Nucleic Acids In Robotic Extractions, Shawn Cecil

Honors Projects

This study compared the efficiency of two carrier nucleic acid methods, specifically using salmon sperm DNA (spDNA), in robotic solid-phase extractions of cotton swab samples. Robotic extractions reduce processing time and workload but result in substantially lower DNA recovery than manual organic extraction. This research tested 10 µg of spDNA being added to the lysis buffer or pre-treating the swabs with it before DNA was added. Both methods showed a significant increase in recovery compared to extractions with no carrier. In the buffer extractions, recovery ranged from 69.4% to 117.5% and the swabs being pre-treated ranged from 84.2% to 125.8% …

Investigating Factors That Affect Total Ige Antibody Levels Of A Canine Population In Louisville, Ky, Iris N. Gillespie

Undergraduate Theses

Canine atopic dermatitis (CAD) is a genetically predisposed condition that causes inflammatory and pruritic (itchy) skin reactions in response to environmental and food allergens. The main purpose of this study is to determine if there is a correlation between pollen counts and total canine IgE antibody levels of dogs living in Louisville, KY. Additionally, data is analyzed to look for trends documented in previous studies related to the impacts of sex, age, and allergic symptoms on total IgE count. In collaboration with the Downtown Animal Hospital, blood samples were drawn from 16 dogs at one point in February (when pollen …

Grapes Cure Cancer: My First Molecular Docking Analysis Of Resveratrol Binding To Anti-Apoptotic Protein Bcl-2: In Silico, Sydni Ann Kolokoltsev, Vishwas Joshi

Publications and Research

B-cell lymphoma 2 (BCL-2) is an anti-apoptotic protein frequently overexpressed in cancer, enabling tumor cells to evade programmed death. Resveratrol, a grape-derived polyphenol, has reported anticancer properties. Here we performed in silico docking of resveratrol to human BCL-2 using AutoDock Vina. The best-ranked pose exhibited a predicted binding free energy of 8.0 kcal/mol and formed at least one short hydrogen bond (~1.8 Å) with pocket residues. These results support further evaluation of resveratrol as a potential modulator of BCL-2-mediated apoptosis.

Unsaturated Fatty Acid Oil-Based Microdroplets: A Promising Novel Class Of Microdroplets, Ramiz S. Alejilat

Seton Hall University Dissertations and Theses (ETDs)

Droplet-based microfluidics has rapidly advanced numerous fields, including chemistry, biology, materials science, medicine, food science, and cosmetics. In these systems, fluorocarbon oil combined with fluorinated surfactants is the preferred medium for fluid encapsulation, offering exceptional stability and biocompatibility essential for sensitive biological and chemical processes. However, growing concerns about the environmental and biological risks associated with fluorinated chemicals have prompted a search for alternatives.

This study is the first to explore the use of unsaturated fatty acids derived from emu oil for microdroplet formation. We characterized droplet formation based on flow rates and the presence non-fluorinated surfactant at a certain …

The Triangular Interaction Between Dietary Polyphenols, Gut Microbiota, And Metabolic Syndrome, Emily Bayliss

Senior Honors Theses

Type 2 diabetes mellitus (T2DM) is a growing global health concern characterized by peripheral insulin resistance as well as impaired insulin secretion from pancreatic β-cells. Emerging evidence suggests that the gut microbiome, specifically gut dysbiosis, an imbalance in the gut microbiome, is a critical modulator of the pathophysiology of T2DM. Dietary polyphenols, a diverse group of bioactive compounds that are abundant in plant-based foods, have recently gained attention for their potential to attenuate metabolic disorders through their antioxidant and anti-inflammatory properties as well as through modulating the composition and activity of gut microbes, thereby attenuating dysbiosis. However, the diabetic state …

Molecular Pathway Dysregulation In Chronic Liver Disease: Metabolic And Mechanotransductive Drivers Of Hepatic Pathophysiology, Samantha Harvat

Department of Chemical and Biomolecular Engineering: Dissertations, Theses, and Student Research

Metabolic dysfunction–associated steatotic liver disease (MASLD) represents a rapidly growing cause of chronic liver injury, yet the molecular interactions linking metabolic stress, inflammation, fibrosis, and hepatocellular carcinoma (HCC) remain incompletely defined. This thesis integrates transcriptomic analyses across multiple GEO datasets to identify coordinated metabolic, inflammatory, and mechanotransductive pathways that collectively drive disease progression.

Analysis of human liver biopsy datasets (GSE126848 and GSE89632) revealed consistent suppression of glycolysis, β-oxidation, and oxidative phosphorylation across MASLD and MASH samples, accompanied by modest compensatory TCA cycle activation. These alterations reflect impaired metabolic flexibility, mitochondrial stress, and increased ROS susceptibility. Concurrently, cytokine-network enrichment demonstrated activation …

Dendrimer Gel Nanoparticles With Dual-Targeting Of Upar And Ribonucleotide Reductase R2 Influence Necrosis, Apoptosis, And Cell Cycle Arrest In Triple-Negative Breast Cancer, Hsin Yin Chuang, Yue-Wern Huang, Hu Yang

Biological Sciences Faculty Research & Creative Works

Triple-negative breast cancer (TNBC) is an aggressive breast cancer subtype with limited treatment options due to the absence of estrogen (ER), progesterone (PR), and human epidermal growth factor receptor 2 (HER2) receptors. We previously developed highly adaptable polyamidoamine (PAMAM) dendrimer-based gel nanoparticles (GDP-uPA/GTI) with dual-targeting capabilities against urokinase-type plasminogen activator receptor (uPAR) and ribonucleotide reductase R2 (R2) to achieve selective antitumor effects. In this study, we investigated the underlying mechanisms of GDP-uPA/GTI-induced tumor inhibition. In vivo, GDP-uPA/GTI significantly downregulated R2 expression and activated caspase 8 and caspase 3, indicating caspase-dependent apoptosis. Histological evaluation of major organs revealed no observable toxicity. …

Flux Crystal Growth Of A Series Of Calcium Rare Earth Silicate Chlorides Calnsio4Cl (Ln = Pr, Nd, Sm, Eu, Gd, And Tb): Mixed Anion Materials With A Spodiosite-Type Structure, Maria Goncalves, Mark D. Smith, Hans Conrad Zur Loye

Faculty Publications

A series of calcium rare earth silicate chlorides, CaLnSiO4Cl (Ln = Pr, Nd, Sm, Eu, Gd, and Tb), was obtained as single crystals from flux crystal growth. The structures were determined by single crystal X-ray diffraction and were found to be related to the spodiosite/Wagnerite mineral structure, Ca2PO4F. The obtained compositions are variations of the spodiosite structure that result from two simultaneous elemental substitutions. Replacing one calcium for one rare earth element and the simultaneous replacement of one VO4³⁻ or PO4³⁻ with one SiO4⁴⁻. CaEuSiO4Cl was found to luminesce, and its photoluminescence spectrum is reported.

Water Circulation Beneath A Hovering Suas For Water Quality Monitoring Applications, Erin E. Hackett, Boone Fleenor, Jensine C. Coggin, Duvall Dickerson-Evans, Nikolaos Vitzilaios, Whitney E. Schuler, Paige K. Williams, Michael L. Myrick

Faculty Publications

Water quality has traditionally been measured via in situ sensors and satellites. The latter has limited applicability for smaller inland water bodies, while the former requires significant logistics, labor, and expense for routine sampling, and reactive/spurious sampling is often not feasible as a result (e.g., sampling pre-/post-storm). Consequently, small uncrewed aircraft system-based (sUAS-based) sampling has emerged as a potential solution to bridge these sampling gaps and challenges. But sampling from an sUAS is complicated by the need to pump water from depth, rather than suspending a sensor from the sUAS, due to concern over sampling sUAS-impacted waters. Here, we measure …

Thermodynamic Assessment Of The Li, Na, K, Cs | F, I Reciprocal Salt For Msr Applications, Clara M. Dixon, Mina Aziziha, Amir Mofrad, Jorge Paz Soldan Palma, Ronald E. Booth, Aiswarya Padinhare Manissery, Jack A. Wilson, Hans Conrad Zur Loye, Hunter B. Tisdale, Juliano Schorne-Pinto, Theodore M. Besmann

Faculty Publications

Gibbs energy models necessary to describe the thermochemical behavior of cesium and iodine in molten FLiNaK (46.5LiF-11.5NaF-42KF mol%), a proposed molten salt reactor coolant and fuel solvent, have been developed as they are of concern due to their high radiotoxicity and volatility. The six constituent pseudo-binary systems LiI-CsI, LiI-KI, LiI-NaI, NaI-KI, KI-CsI and NaI-CsI were evaluated using available phase equilibria and mixing enthalpy measurements. The models for the ternary reciprocal salt systems Li,Cs|F,I, Li,K|F,I, Li,Na|F,I, Na,K|F,I, Na,Cs|F,I and K,Cs|F,I were obtained by interpolation of the optimized pseudo-binary systems and parameters fit as necessary based on observed behavior. The additive (common …

Functional Characterization Of The Hssb1 K94q Mutation, Isaiah Singleton

All Theses

Genome stability depends on precise DNA repair pathways such as homologous recombination (HR), where human single-stranded DNA-binding protein 1 (hSSB1) stabilizes single-stranded DNA (ssDNA) intermediates and recruits repair complexes. Post-translational modifications, including acetylation, are known to regulate hSSB1 activity, but their molecular effects remain poorly defined. This study examined the role of lysine 94 (K94) acetylation using a glutamine substitution mutant (K94Q) that mimics the acetylated state. Recombinant hSSB1 wild type (WT) and hSSB1_K94Q were expressed in Escherichia coli and purified using Ni–NTA affinity chromatography. Biochemical analyses, including electrophoretic mobility shift assays (EMSA), single-strand annealing assays, and displacement loop …

Evaluating The Effectiveness Of An Air Purification System In Reducing Bacterial Chondronecrosis With Osteomyelitis Lameness In Broiler Chickens, Abdulaziz Ali Alqahtani

Graduate Theses and Dissertations

Bacterial chondronecrosis with osteomyelitis (BCO) is the primary cause of lameness in commercial broiler production and has a profound impact on animal welfare and cost-effectiveness. The purpose of this experiment was to examine the effect of an air purification system on mitigating BCO lameness in broiler chickens. One thousand eight hundred broiler chicks were reared in two side-by-side research barns. Eight air filtration units were installed in one building, and none in the other. Treatment groups in both houses included positive control birds on wire flooring to induce BCO, as well as negative control, feed additive, vaccination, and a combination …

Exploring The Growth Dynamics Of Streptococcus Mutans In Diverse Environmental Conditions, Vanessa Escudero

Theses and Dissertations

Dental caries, a prevalent oral health issue, is primarily associated with the growth of Streptococcus mutans, a Gram-positive bacterium that grows under various oral environments. The primary objective of this study was to evaluate the impact of different beverages and mechanical cleaning on the growth of S. mutans, which plays a crucial role in tooth decay. Using a nano-spectrophotometer we analyzed bacterial growth by constructing growth curves under different conditions, including exposure to cranberry juice, Hawaiian juice, and mechanical brushing.

The study was designed to mimic real-world oral conditions by testing S. mutans in four distinct environments. First, we established …

Development Of Novel Small Molecule Therapeutics For Myotonic Dystrophy, Xhesika Azis

Biological Sciences

Myotonic Dystrophy type 1 (DM1) results from expanded CUG repeat RNA that sequesters MBNL proteins and disrupts alternative splicing. Small molecules that bind toxic repeat RNA and release MBNL proteins represent a promising therapeutic strategy. This thesis examines newly synthesized modified polycyclic compounds (MPCs) engineered to target CUG RNA with enhanced specificity and efficacy. Through Suzuki–Miyaura coupling and benzoquinone-mediated cyclization, MPC03 was synthesized and characterized by NMR and LC–MS.

The biological activity of these compounds was assessed in DM1 patient-derived myotubes and fibroblasts. MPC03 consistently produced dose-dependent rescue of multiple MBNL-regulated exons, restoring splicing patterns toward those observed in healthy …

Expression, Purification And Characterization Of Full Length Tdp-43, Danya Abouzaid

Honors Theses

TAR DNA-binding protein 43 (TDP-43) is a 43 kDa RNA-binding protein linked to several neurodegenerative diseases, including amyotrophic lateral sclerosis (ALS), frontotemporal dementia (FTD), and Alzheimer’s disease. 5-7,28,30,33 Studying full-length TDP-43 has been difficult because of its intrinsic instability and tendency to aggregate.19,25,28,33,36 In this study, we focused on overcoming the difficulties to express full-length TDP-43 in E. coli recombinantly. We focused on expressing full-length TDP-43 as a fusion construct with a maltose-binding protein (MBP) to improve solubility and stability. Our strategy was to purify TDP-43-MBP fusion and make biomolecular condensates with RNA before cleaving the tag with thrombin protease. …

Blood-Based Clinical Markers For Early Dementia Detection: Insights From Ad-Detect-Cohort, Benard Aliwa, Jasmit Shah, Olivera Nesic Taylor,, Samuel Nguku, Juzar Hooker, Dilraj Sokhi, Sylvia Mbugua, Litha Musili, Rachel Maina, Harrison Kaleli, Levi Muyela, Anne Njoki Gitere, Anne Nyambura, Zul Merali, Karen Blackmon, Chinedu Momoh

Brain and Mind Institute

Background: Over 55 million people worldwide live with dementia, with more than60% residing in low- and middle-income countries. Alzheimer’s disease, the mostcommon form of dementia, accounts for 60–70% of cases. Early and accurate diagnosisremains a global challenge, necessitating novel approaches to mitigate the diseaseburden. Biomarkers hold significant promise in improving diagnostic accuracy andpredicting disease progression. Validated biomarkers for the preclinical stages ofdementia are crucial for advancing diagnosis and therapeutic strategies. We aimedto identify potential clinical markers for early dementia detection and assess theirpredictive accuracy in identifying high-risk individuals.

Method: We analyzed blood samples from dementia cases (n = 30) and …

Transcription Factors And Regulatory Proteins In The Control Of Eukaryotic Gene Expression, Maya M. Minkara

Honors Theses

Transcription factors (TFs) function as precision switches that integrate signaling inputs, chromatin state, and protein homeostasis to control gene expression. This thesis unites three interconnected research themes: (1) mechanistic studies of the ubiquitin-proteasome system (UPS) in regulating eukaryotic TFs, focusing on polymerase-associated Factor 1 (Paf1) and TATA-box binding protein-associated factor 2 (Taf2); (2) identification of biomarker genes within odor-related TF networks; and (3) integration of published undergraduate research linking molecular regulation, bioinformatics, and synthetic biology. These themes are purposefully structured so that mechanistic insight into TF control sets up network-level discovery and, in turn, motivates applied and translational directions. In …

Bacillus Subtilis: A Bacterium That Can Potentially Degrade Low-Density Polyethylene (Ldpe) And Polyethylene Terephthalate (Pet), Migdalia Flores

Theses and Dissertations

The widespread application and disposal of plastics, such as low-density polyethylene (LDPE) and polyethylene terephthalate (PET), have raised significant environmental health concerns. Because of each plastic’s stability and durability, these plastics exhibit limited natural degradation in the environment. Recently, the environmentally friendly biodegradation of plastics by living microorganisms has attracted more attention, as they can assist in the natural degradation process. In this study, the bacterial strain Bacillus subtilis ATCC6051 was used to degrade LDPE and PET for 60 days. To measure the degradation of low-density (LDPE) and polyethylene terephthalate (PET), the dry weight was taken, and physical characteristics were …

Investigating The Impacts Of Azole Antifungals On Growth Of Cryptococcus Neoformans, Gnanambika Sindhe

All Theses

Cryptococcus neoformans, an opportunistic fungal pathogen is responsible for cryptococcosis, leading to approximately 181,000 deaths annually, predominantly in regions such as Sub-Saharan Africa. Fluconazole, a widely used fungistatic azole, is often administered due to its relative affordability and lower toxicity. However, resistance to fluconazole in C. neoformans can arise through aneuploidy, complicating treatment efforts. This study aims to deepen our understanding of resistance mechanisms to azole drugs by comparing fluconazole with other azoles, including both clinical and agricultural azole antifungals. Disk diffusion assays were performed to evaluate the ability of C. neoformans to develop resistance to these compounds, focusing …

Context Dependent Regulation Of Dicer Function During Oocyte-To-Embryo Transition, Nick A. Newkirk

Dissertations and Theses (Open Access)

Over two decades ago, Dicer was discovered as the primary enzyme responsible for the generation of small RNAs known as the microRNAs (miRNAs) and short interfering RNAs (siRNAs). Spatiotemporal regulation of Dicer-dependent small-RNA biogenesis affects many aspects of biology, including aging, disease progression, fertility, and cancer. Interestingly, a distinct population of Dicer-dependent small RNAs, known as the endogenous siRNAs (endo-siRNAs), are uniquely abundant in the germ cells and gametes, and are critical for normal fertility. Despite their function regulating new life, the mechanisms controlling their biogenesis and subsequent germ cell functions remain poorly defined. Work to parse these mechanisms in …

Exploring Glycosomes As Therapeutic Targets For Trypanosoma Brucei, Sabrina Sutton Pizarro

All Dissertations

Trypanosoma brucei is a protozoan parasite which causes human African trypanosomiasis and the livestock wasting disease, nagana. These parasites have highly specialized peroxisomes, called glycosomes, which house a variety of essential metabolic pathways, including glycolysis. Glycolysis is the sole means of energy production in the infective life stage of T. brucei making glycosomes and the glycolytic pathway promising targets for therapeutic strategies. In this work, we have studied the glycosome as a therapeutic target from multiple perspectives. The first portion of this work addresses drug trafficking. The efficacy of small-molecule inhibitors of glycosomal enzymes is restricted by the rate of …

A Molecular Mechanism Of Epithelial To Mesenchymal Transition (Emt): An Evidence Based Lesson Applying Molecular Biology Through The Lens Of Cancer, Sophie Hasson, Melissa Rowland-Goldsmith

Open Educational Resources

This lesson aims to strengthen students’ critical thinking and molecular biology data analysis skills as well as their understanding of concepts related to the hallmark of cancer: tissue invasion and metastasis. Students begin by learning about the invasion of cancer cells, Epithelial-Mesenchymal Transition (EMT), and an important protein involved in EMT: E-cadherin. They then apply molecular biology knowledge to analyze data from multiple papers to infer the relationship between Snail and E-cadherin in different types of cancers. Next, they continue to interpret data from many papers to determine that a repressor transcription factor is present during EMT in cancer cells …

Engineered An Ultrasmall Curcumin Oral Nanoformulation Restores Intestinal Integrity And Gut Microbiota Dysbiosis, Vivek Sharma, Prateeksha Prateeksha, Balwant Paliya, Sateesh Gupta, Sarvendra Singh, Anand Anunay, Sushil Agrahari, Shailendra Singh, Chandana Rao, Saroj Barik, Brahma Singh

Department of Biochemistry and Molecular Biology Faculty Papers

Antibiotic therapy for bacterial infections often disrupts gut microbiota (GM) and intestinal integrity, inducing chronic inflammation and inflammatory bowel diseases. An effective therapeutic intervention is urgently needed to alleviate the aforementioned adverse effects of antibiotics. Curcumin (CUR) reveals great potential to restore intestinal integrity and GM dysbiosis due to its strong antiinflammatory and prebiotic effects. However, the weak solubility and stability of CUR result in limited bioavailability and a short half-life, which restricts its clinical uses. An ultra-small CUR oral nanoformulation was created using a carboxylated galactomannan (cGM), facilitated by hydrogen bonding between the phenolic hydroxyl groups of CUR and …

Mitochondria-Mediated Epigenetic Transfer Between Chondrosarcoma And Wild-Type Cells, Caleb C. J. Wyckoff

Biomedical Sciences Theses & Dissertations

Glioblastoma (GB), acute myeloid leukemia (AML), chronic lymphocytic leukemia (CLL), cholangiocarcinoma, and chondrosarcoma (CS) cancers all contain mutations in the gene isocitrate dehydrogenase 2 (IDH2). The mutant IDH2 enzyme exhibits transformation of alpha-ketoglutarate (αKG) into the oncometabolite D-2-hydroxyglutarate (D2HG) in the mitochondria of these cancers. Mitochondrial-mediated transfer between cancer cells and recipient cells is a significant event that impacts the physiology of the receiving cell, specifically the epigenetic landscape. Previous experiments indicating increased DNA methylation in mesenchymal stem cells exposed to IDH1 or IDH2 conditioned medium underscore the potential role of D2HG to alter methylation states. Additionally, the presence of …

Tracing The Journey Of Dissolved Organic Matter: From Leaf Litter Photodegradation To Microbial Processing In Tropical Streams, Samantha Nicole Sullivan

Chemistry & Biochemistry Theses & Dissertations

Dissolved organic matter (DOM) is a major reservoir of organic carbon in aquatic ecosystems and plays a central role in global carbon cycling through its transformation and remineralization to carbon dioxide (CO₂). As DOM moves from terrestrial environments into streams and rivers, its chemical composition is altered by a combination of microbial and photochemical oxidation processes that regulate both its reactivity and its persistence during transport. However, the molecular mechanisms governing these oxidative transitions, particularly in tropical ecosystems characterized by strong hydrologic seasonality and substantial inputs of plant-derived material, remain insufficiently resolved. This dissertation integrates ultrahigh-resolution mass spectrometry, optical characterization, …

Dna Extrusion Size Determines Pathway Choice During Cag Repeat Expansion, Mayuri Bhatia, Ashutosh S. Phadte, Anna Lakhina, Anthony R. Monte Carloi Iii, Sarah Barndt, Anna Pluciennik

Department of Biochemistry and Molecular Biology Faculty Papers

DNA triplet repeat expansion causes several primarly neurological disorders like Huntington's disease, myotonic dystrophy type 1, and fragile-X related disorders. There is general consensus that recognition of extrahelical extrusions or hairpin-loop structures (formed by strand slippage) by the DNA mismatch repair protein MutSβ leads to repeat expansion by a mutagenic process. By contrast, the FAN1 nuclease attenuates triplet repeat expansion, the molecular basis of which was explained by our recent finding that FAN1 nuclease cleaves and initiates removal of extrahelical extrusions. Here we show that extrusions containing two or more triplet repeats are subject to recognition and processing by either …

Synthesis Of Disulfide Triazole Phosphorus Fire Retardant Via Photochemical Conditions, Jason Liu

Undergraduate Research Symposium Lightning Talks

The development of fire retardants is critical to enhancing fire safety and advancing fire science. The novel synthesis of a disulfide triazole phosphorus thiolacid fire retardant under photochemical conditions, along with relevant testing on plume generation performance, aims to answer our research goals.The proposed specific synthesis and conditions provide for a more efficient and environmentally greener route compared to conventional methods, utilizing photochemical click reactions. Furthermore, the addition of sulfur element to conventionally sole phosphorus-based FR reduces the chance of leaching by increasing the molecular weight of the compound and overcoming the obstacle of low molecular weight problems while also …

Liver-Directed Base Editing Of Abcc6 Prevents Ectopic Calcification In A Variant-Humanized Mouse Model Of Pseudoxanthoma Elasticum, Lauren C. Testa, Dora Obiri-Yeboah, Hooda Said, Ping Qu, Michael A. Levine, Mohamad-Gabriel Alameh, Kiran Musunuru, Qiaoli Li, Xiao Wang

Department of Biochemistry and Molecular Biology Faculty Papers

Pseudoxanthoma elasticum (PXE) is an autosomal recessive connective tissue disorder characterized by ectopic calcification of elastic fibers throughout the skin, retina, and arteries. It is caused by pathogenic variants in ABCC6 , which encodes a transmembrane transporter that primarily localizes to hepatocytes. Loss of ABCC6 function in hepatocytes leads to systemic deficiency of inorganic pyrophosphate (PPi), a potent inhibitor of calcification; such depletion of PPi from the circulation is responsible for multisystemic ectopic calcification seen in PXE. Therefore, liver-targeted variant correction by genome editing and subsequent restoration of systemic PPi may offer a one-and-done therapeutic approach for PXE. The ABCC6 …

Chronosort: Revealing Hidden Dynamics In Alphafold3 Structure Predictions, Matthew J. Argyle, William P. Heaps, Corbyn Kubalek, Spencer Gardiner, Bradley C. Bundy, Dennis Della Corte

Faculty Publications

Protein function emerges from dynamic conformational changes, yet structure prediction methods provide only static snapshots. While AlphaFold3 (AF3) predicts protein structures, the potential for extracting dynamic information from its ensemble predictions has remained underexplored. Here, we demonstrate that AF3 structural ensembles contain substantial dynamic information that correlates remarkably well with molecular dynamics simulations (MD). We developed ChronoSort, a novel algorithm that organizes static structure predictions into temporally coherent trajectories by minimizing structural differences between neighboring frames. Through systematic analysis of four diverse protein targets, we show that root-mean-square fluctuations derived from AF3 ensembles can correlate strongly with those from MD …

Data-Driven Modeling Of Dynamics And Adaptation In Mapk Pathway, Elisha Erzoah, Maria Emelianenko, Mariaelena Pierobon

Annual Symposium on Biomathematics and Ecology Education and Research

No abstract provided.