Drug Design Using Molecular Modeling

Drug design using molecular modeling refers to the process of creating new drugs by using computer-based methods to predict how molecules interact with biological targets. This approach uses simulation techniques to predict how chemical structures interact with proteins and other molecules in the body. By understanding the different interactions, scientists can design new drugs that can target specific molecules and reduce side effects. This process helps to create more effective and safer drugs, significantly reducing the time and cost of drug discovery and development. The use of molecular modeling in drug design is now a fundamental part of the drug discovery process and is widely used in the pharmaceutical industry today.

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Pattern of Use of Highly Active Antiretroviral Therapy Regimens and Pattern of Occurrence of Adverse Drug Reactions in an Indian Human Immunodeficiency Virus Positive Patients
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Quantitative Proteomics Using 15N SILAC Mouse
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Antioxidant Protection of Donor Packed Red Blood Cells using Mexidol
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Determination of the Proteomic Response to Lapatinib Treatment using a Comprehensive and Reproducible Ion-Current-Based Proteomics Strategy
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Evaluation of SterculiaUrens Gum as Novel Carrier for Oral Colon Targeted Drug Delivery System
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Evaluating the Efficacy of Gene Silencing in Dopaminergic Neuronal Cells In-Vitro using Gold Nanorods (GNR) with Different Surface Properties Complexed to DARPP-32 siRNA.
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Molecular Cytogenetic Investigations in a Novel Chromosomal Abnormality of t(10;15)(q22;q22) in a Pediatric Precursor-B-Acute Lymphoblastic Leukemia Patient
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A Review of the Histologic, Genetic and Molecular Characteristics of Meningioma Pathogenesis and Progression
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Understanding Ubl-Rpn1 Intermolecular Interaction
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Mechanisms Associated with Acquisition of Resistance to Butyrate-Induced Apoptosis in Colorectal Cancer Cells Using Gene Expression Analysis
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Current Status of Nonsteroidal Anti-Inflammatory Drugs in Colorectal Cancer Prevention
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Laryngeal Tissue Engineering using Rabbit Adipose Derived Stem Cells in Fibrin: A Pre-Clinical Model
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Endothelial Function in Stroke Subtypes Using Endopat Technology
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Management of Absent Capsular Support with a new Intraocular Lens Design
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Reconstruction of Severely Atrophic Pre-Maxilla Using Rhbmp-2 and Titanium Mesh for Dental Implants: A Case Report.
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Investigations of Molecular Evolutionary Mechanisms in Partially Sequenced Heat Shock Protein70 Homologue-Coding Gene of Olive Leaf Yellowing-Associated Virus Isolates from Tunisia
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High expression of miR-21 in tissue correlated with the poor survival of patients with esophageal cancer: a pilot study using the meta-analysis
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Reasons for the Low Male Involvement in Routine Child Immunization in Hoima District Uganda using the Attitude, Social Influence and Self Efficacy Model
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Biocompatible Scaffolds for Human-Induced Pluripotent Stem Cell Transplantation and Modeling Post-Stroke Recovery in Three-Dimensional Neural Cell Culture
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Using The RE-AIM Framework to Evaluate A Community-Based Smoke Alarm Installation Program
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Vibrational, Ultra Violet, Natural Bond Orbital Analysis of E-1 using Quantum Mechanical Computations and Experimental Spectra.
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Synthesis and Assessment of a New Tetrahydrogeraniol Derivative as Penetration Enhancer for Transdermal Drug Delivery
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A Successful Vancomycin Treatment of Multidrug-Resistant MRSA-Associated Canine Pyoderma
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Anterior Open Bite Closure Using Ortodontic Mini-Implants
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Trends and inducing factors for illicit drug use in Grenada: Epoch 2001 – 2009.
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Evaluation of a Stroke Protocol Using Computed Tomography Angiography for the Evaluation of Acute Ischemic Stroke Patients
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Molecular Structure and Vibrational Analysis of 2-(4-methoxyphenyl)-2, 3-Dihydro-1H-Perimidine using Density Functional Theory
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The Clinical Significance of a Low Percentage of Mature Oocytes Retrieved Using Common Ovarian Stimulation Protocols.
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Musings in Physiology
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Macular Ganglion Cell Layer Thickness in Patients Using Oral Isotretinoin
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Increase Writing Performance using A Shaping Procedure with a Patient with Sequelae Caused by Cardiovascular Accident
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Novel N-Pyrrolylcarboxylic Acid Derivative as a Potential New Analgesic and Anti-Inflammatory Drug
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Analyzing Students’ Opinions about their Learning Environments and Study Approaches with Bayesian Modeling
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Regulation of Expression of Reactive Oxygen Intermediates During Plasmodium Infection to Reduce Immunopathology Provides a Possible Antioxidant Adjuvant to Enhance Anti-Malarial Drug Therapy
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Compliance to Company Based Colorectal Cancer Screening in Germany using Fecal Immunochemical Test (FIT) - Results of Almost Half a Million FIT Tests
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Development of a Chronic Obstructive Pulmonary Disease Severity Classification System Using A Japanese Health Insurance Claims Database
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Storing Lesion-free Tooth Morphology for Biomorphic Dental Restoration Design
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The Practice of Using and/or Cutting The Body With Sharp Objects: A Case Study of University Students’ Risk Awareness in Selected Universities in Abia State
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Assessment of Cardiac Function and Prevalence of Sleep Disordered Breathing using Ambulatory Monitoring with Acoustic Cardiography – Initial Results from SWICOS
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Molecular Spectroscopy and Molecular Docking Studies on (E)-1-(4-Bromobenzylidene) Thiourea
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Perspectives on Sub–Nanometer Level of Electronic Structure of the Synchrotron with Mendelevium Nanoparticles for Elimination of Human Cancer Cells, Tissues and Tumors Treatment Using Mathematica 12.0
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Profile of Similarity of Electron Withdrawing Structure Towards Analgesic-Anti-Inflammatory Activity of The Novel Isatin Analogue: Design and Implementation of Phase I Drug Discovery
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Genetic Diversity of Large Japanese Field Mouse Apodemus speciosus Populations and Identification of their Food Plant Resources using DNA Barcoding in an Industrial Green Space
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Evaluation of Bacterial Population in the Saliva of Drug Addicts
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Using A “Superrooting”Cultivar of Taxus Chinensis Var. Mairei to Unravel Antioxidative Enzymes’ and Micrornas’ Role on Adventitious Rooting
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Molecular and Cell Biological Considerations in the Initiation and Development of Sporadic Non-Hereditary Solid Cancers  
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Drug Design Progress of In silico, In vitro and In vivo Researches
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Using Different Types of Fertilization for Increasing Sugar Beet Growth under Sandy Soil Conditions.
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Assessment of Biofield Energy Healing Based Vitamin D3 Effects on Bone Health Parameters Using Human Osteoblast Cell Line (MG-63)
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Perioperative Period is a Critical Gap for Minimal Residual Cancer Cells Progression and Therapy: Biological and Molecular Based Evidences
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Molecular Biomarkers: A Brief Review
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5S Dashboard Design Principles for Self-Service Business Intelligence Tool Users
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Drug Abuse among Street Children
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In Vitro Assessment of Estrogenic Potential of Biofield Energy Treatment using Human Endometrial Adenocarcinoma Cell Line
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The Pineal Hypothesis for Drug Dependence
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Lignocellulosic Waste as a Sole Substrate for Production of Crude Cellulase from Bacillus subtilis PJK6 Under Solid State Fermentation Using Statistical Approach
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The Possibility of Using the Fresh Water Bivalve, Spathopsis Rubens, in The Nile River, El Mahmoudia Water Stream as Bioindicator For Pollution
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Assessmentof Hair Growth Treatment with the Consciousness Energy Healing Treated Williams Medium E Using Mouse Vibrissae Hair Follicle Organ Culture
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Secular Trend in the Incidence of Japanese Employees with Thyroid Cancer Undergoing Thyroidectomy from 2005 to 2014: a Retrospective Descriptive Study Using an Employment-Based Insurance Claims Database
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Modeling of Dynamic/Situational Leadership for Effective Entrepreneurship Development
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Insight into Management Issues modeling for Perfect Business Simulation
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Modeling of Talent Acquisition for Organizational Development
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Retinal and Cortical Contributions to Excessive V1 Neuron Firing Rate Variability in Schizophrenia: A Computational Modeling Analysis
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Molecular Survey on Symbiodinium of Some Scleractinean Coral Spp. and a Fire Coral sp. along the Red Sea of Egypt
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In vitro Assessment of the Biofield Treated Test Item on Cardiac Function Using Rat Cardiomyocytes Cell Line (H9c2) via Multiparametric Analysis
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Chest Wall Prostheses for Pectus Excavatum and Poland Syndrome Using 3D-Printed Models: Technique and Outcomes After 25 Years' Experience
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Why New Drugs, Treatments, and Medical Devices Still Needs to be Tested Clinically Before Making it Available in the Market?
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Molecular Composition of and Potential Health Benefits Offered by Natural East African Virgin Sunflower Oil Products: A 400 MHz 1H NMR Analysis Study
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Design Support to steer Creative Wicked Problem Solving Processes with Knowledge Management and Artificial Intelligence
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Developing Cellular & Molecular Biomarkers for Anti-Inflammatory Activities of Probiotic Bacteria in Fermented Foods
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Construction of Virtual Neuron and Consolidation of Sleep and Memory Process– A Molecular Docking and Biomathematical Approach
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Early Prediction of Alzheimer’s Disease Using OCT Imaging Technique
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Phytoplankton Community of Taylor Creek in the Niger Delta Using Diversity Indices
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Successful Cascade of Care and Cure HCV in 5382 Drugs Users: How Increase HCV Treatment by Outreach Care, Since Screening to Treatment
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Characterization of rpoB Gene Mutations Associated with Rifampicin Resistance in Multidrug Resistant Tuberculosis Patients Co-infected with HIV from Southern India.
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Cell-Based Vital Organs Specific Biomarkers Assessment using Biofield Energy Based Novel Test Formulation
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Impact of Biofield Energy Treatment Based Test Formulation on Vital Organ Health Specific Biomarkers Using Cell Line Study
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Using a Medication Plan as a Quality Indicator: Feasibility and Satisfaction Results from an Observational Study
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Evaluation of Anti-Aging Activity of the Biofield Energy Treated Novel Test Formulation Using SIRT1 and Telomerase Activity in in Vitro Model
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Molecular and Metabolic Pathogenesis of Familial Combined Hyperlipidemia and Association with Metabolic Syndrome
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Using Prostatic Fluid Levels of Zinc to Bromine Concentration Ratio in Non-Invasive and Highly Accurate Screening for Prostate Cancer
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Pharmacodynamic Modeling of Sunscreens: New Efficacy Evaluation, Risks of Sunburn and Melanoma and Very Low to Very High Sun Protection Factor
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Structural Equation Modeling to Detect Predictors of CD4 Cell Count Change due to Long Term Antiretroviral Therapy Administered to HIV-Positive Adults at Felege Hiwot Teaching and Specialized Hospital, Bahir Dar, Ethiopia
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Biodegradation of Methyl Parathion Using Pseudomonas stutzeri (MTCC 2643)
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Educational Needs of Mothers about using Oral Rehydration Salt (ORS) at Home During Acute Diarrhea in Children under 5 at Urmia Population Research Center
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RESinvANFIS v1.0 - A Versatile MATLAB Tool for Inverting Geoelectrical Resistivity Sounding Data using Neuro Fuzzy Technique
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Using Human Development Indices to Identify Indicators to Monitor the Corona Virus Pandemic
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Biodegradation of Malathion Using Pseudomonas stutzeri(MTCC 2643)
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Management of Fruit Flies Using Environmentally Safer Pesticide (Spinosad) in Shendi, Sudan
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Molecular Study of Hepcidin HAMP (-582A/G) Gene Polymorphisms and Measurement of Serum Hepcidin Level among Sudanese Patients with Anemia of Chronic Kidney Disease
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Assessment of Traffic Policemen Exposure To Benzene by Using Trans, Trans-Muconic Acid Biomarker in Ahvaz City, Iran
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Biosorption of Lead Using the Bacterial Strain, Bacillus subtilis (MTCC 2423)
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Molecular Analysis of 6-pyruvoyltetrahydropterin Synthase Gene in Atypical Phenylketonuric Egyptian Patients
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Bioremoval of Zinc Using the Tomato Plant, Lycopersicon esculentum
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Lipid Assemblies as Tools for Drug Delivery
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Assessment of Self Medication Practice and Drugs Storage Among South Sudanese Community in Addis Ababa, Ethiopia
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Aerobic Plate Count of Contaminants and Molecular Characterization of Eschereichia Coli in Raw Chicken Meat in Ismailia, Egypt
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Removal of Methyl Violet from Aqueous Solutions Using the A Site Doped Perovskite +-Oxides BaxSr3-xNbO5.5 (x=0, 1 and 2)
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Treatment of Dairy Industry Wastewater - Special Reference to Design of Aerated Lagoon
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Social Network Analysis of Integrated Medical Services for Hypertension – Using District Hospitals of Shanghai as a Model
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Assessment of Body Size by Structural Equation Model Using Anthropometric Traits of Fishermen Community: A Methodological Approach
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Analysis of Isotopic Abundance Ratio of Consciousness Energy Healing Treated Metronidazole Using LC-MS and GC-MS Spectrometry
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Mathematical Modeling of Covid-19
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Mathematical Modeling and Epidemic Prediction of COVID-19 and its Significance to Epidemic Prevention and Control Measures
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Evaluation of Anti-oxidation and Therapeutic Effect of Biofield Energy Healing Based Novel Test Formulation Using TNBS (Tri Nitro Benzene Sulfonic Acid) - Induced Ulcerative Colitis in Sprague Dawley Rats
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Molecular Evolutionary Characteristics of the 2019 Novel Coronavirus (SARS-CoV-2) Contracted by Tunisian Citizens : Comparison and Relationship to Other Human and Animal Coronaviruses Based on Spike Glycoprotein-Coding Gene Sequences Analysis
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Characterization of the Consciousness Energy Healing Treated Cholecalciferol Using LC-MS and GC-MS Spectrometry
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Evaluation of the Isotopic Abundance Ratio of Consciousness Energy Healing Treated L-Tryptophan Using LC-MS Spectrometry
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Molecular Evolution of the Novel Coronavirus SARS-CoV-2
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Use of the Remaining Sample from the Panbio COVID-19 Antigen Rapid Test Device for the Molecular Screening of the SARS-CoV-2 Variant of Concern B.1.1.7
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An Investigation on Dietetics and Nutritional Interests using Quantitative Analysis in the Existing Prevalent Conditions of COVID-19
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Attenuation of Microcystins Using Electron Beams and Gamma Radiation: A Study with Environment-Bound Conditions
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By Design: Aligning Structure with Values to Impact Outcomes in a Public Utility Model
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Factors Affecting Atlantic Salmon Populations Adversely; Using the River Dee, Scotland, as an Example
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Removal of Neutral Red from Aqueous solutions usingSr2CaBO5.5 (B= Nb+5& Ta+5)
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Iodometric Determination of Neutral Amino Acids Using Potassium Iodate
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Design of Stopwatch based on STC89C52 Single Chip Microcomputer
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Distinguish Thyroid Malignant from Benign Alterations using Trace Element Contents in Nodular Tissue determined by Neutron Activation and Inductively Coupled Plasma Mass Spectrometry
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Integrated Management of Sclerotinia Sclerotiorum, An Emerging Fungal Pathogen Causing White Mold Disease
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Tay-Sachs Disease: From Molecular Characterization to Ethical Quandaries and the Possibility of Genetic Medicine
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Psychosomatics: Exploring the Role of the Mind-Body Connection in Causing Physical Illnesses
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Molecular Detection of Mycoplasma Gallisepticum and Mycoplasma Synoviae Infection in Poultry
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Modeling of the Deposition of Low-Density Lipoprotein Particles inside an Ideal Geometry of the Heart Coronary Arteries
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Analysis of Covid-19 Using A Modified SEIR Model To Understand The Cases Registered in Singapore, Spain, And Venezuela
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Molecular Confirmation of Staphylococci Strain’s Identification Isolated in the Hospital and University Center of Brazzaville, Republic of Congo
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CERN Large Hadron Collider (LHC) Radiation Source for Magnetic Resonance Biospectroscopy in Metabolic and Molecular Imaging and Diagnosis of Cancer
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A Review on Drug Design by the Application of Computer
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Risk Management: Emerging critical issues during the hospital administration of drug therapy
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The Design and Demonstrative Analysis of the Gas Turbine Operation’s Simulator
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Time Series Analysis and Prediction of COVID-19 pandemic using Dynamic Harmonic Regression Models
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Experimental Study by the Plan Composite Centered Method, Modeling and Optimization of Hydrogen Production by Alkaline Electrolysis
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Capturing School Data on Bullying and Harassment is Just the Beginning of the Story, Using the Data Can Provide Us with an Ending
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Baroreflex Sensitivity, Cardiac and Kidney Remodeling and Deterioration in Vasoactive Substances Content in Blood in Experimental Model of Renovascular Hypertension. Action of Natural Flavone, Luteolin
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A General Approach to Modeling Covid-19
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A case of delayed allergy after cyanoacrylate closure of varicose veins, diagnosed by drug-induced lymphocyte stimulation test
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Human Immunodeficiency Virus Drug Resistance (HIVDR) and Baseline Characteristics among Antiretroviral Therapy (ART) experienced Children and Adolescents under the care of Chidamoyo Christian Hospital in Hurungwe, Zimbabwe
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Spirometric profile of people living with HIV on antiretroviral drugs in Abidjan
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Molecular Diagnosis in Clinical Management and Diagnosis of Thyroid Cancer
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A Trio Study Showing Novel Gene Mutation In LAMB3 Causing Junctional Epidermolysis Bullosa (Intermediate/ Severe)
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Measuring Quality Change in the Market for Anti-Ulcer Drugs
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The Heart Physiology in Fertile Female and The Heart Pathophysiology in Post Menopausal Female. The Contribution of Molecular Biology, Maintaining Cardiac Hemodinamy and Electrophysiology
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RBM45: Molecular, Cellular, and Evolutionary Biology
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Comparative Study of Deep Learning Techniques for Detecting Corn Plant Leaf Diseases Using Transfer Learning
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Call to Action: The Need for Adverse Drug Event (ADE) Standardization and Codification Through Improved ADE Definitions, Documentation and Mapping, as well as More Refined Medication Definitions
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Degradation assessment of Vinyl Ester Matrix Fiber Reinforced Plastics Exposed to Cyclic Hydrochloric Acid Concentrations using Gravimetric Analysis for Chemical Storage Tank use
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Molecular Control of Human Embryonic Development: A Comprehensive Study
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Delving into the Ideas of Charles Darwin: A Study of His Pre-Beagle Musings, Beagle Expedition, and Subsequent Developments
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Molecular Approaches for Assessing Some Iranian Freshwater Fish Species
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Toxicology and Drug Safety Issues: A Review Article
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A Decision Tree Ensemble Approach to Diabetes Prediction using the Framingham Heart Dataset, Exploring the Role of AI-Associated Interventions in Reducing Diabetes-Related Adverse Outcomes Between Men and Women
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Maxillary Sinus Lift Using the Lateral Window Technique with Hydroxyapatite and Beta-Tricalcium Phosphate (β-TCP) Graft
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Characterization of People Receiving 2-Drug Regimens (2DR) for HIV Management in Italy
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A New Model of Body Composition: Concept and Design Features of the DBA-Model
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