Molecular Dynamics Articles
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Enzyme Molecular Dynamics Simulation Service: Unveiling the Intricate Dance of Life's Catalysts
As professional biologists, we are enthralled by the intricate dance of life's catalysts - enzymes. These remarkable protein molecules are the unsung heroes of the biological world, orchestrating the myriad chemical reactions that sustain and power the living organisms around us. To truly understand the structural and functional intricacies of these vital biomolecules, we turn to the powerful ...
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New Technology to Promote Drug Development-AI Technology
For a long time, the research and development of each new drug has faced the challenges of high cost and long cycle. In response to these challenges, major pharmaceutical companies have shifted from targeting common diseases to developing drugs for specific diseases. At the same time, these companies are constantly looking for new technologies for new drug development, such as high-throughput ...
By BOC Sciences
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Understanding Drug-Disease Relationship Analysis: A Key to Drug Discovery
In the realm of modern medicine, the quest for new and effective drugs to combat various diseases is a continuous journey. Drug discovery, the process of identifying compounds that can potentially treat diseases, has seen a significant transformation in recent years, thanks to advancements in computational biology and artificial intelligence (AI). In this article, we will delve into the ...
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Differential Gene Expression (DGE) Analysis in RNA Sequencing
What Are DEGs in Genetics? DEGs, or Differentially Expressed Genes, are genes whose expression levels show significant differences between two or more conditions or experimental groups. In genetics and genomics research, gene expression refers to the process by which information encoded in a gene's DNA sequence is converted into functional proteins or RNA molecules. When studying gene ...
By CD Genomics
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Understanding The Applications of Immortalized Cell Lines and Exploring Their Future in Biology Research
In the field of biomedical research, immortalized cell lines have proven to be invaluable tools for a wide range of studies. These cell lines, derived from primary cells, possess the unique ability to undergo continuous division, providing researchers with a sustainable and consistent source of cells for experimentation. Additionally, immortalized cell lines have the advantage of maintaining the ...
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Decoding the Language of Proteins: Insights from Molecular Dynamics Simulation
Molecular dynamics simulation is a powerful and widely employed computational method that investigates the motion and interactions of molecules under different conditions, revealing the structure, dynamics, and physical-chemical properties of molecules. This article aims to delve into the fundamental principles, applications, and key techniques of molecular dynamics simulation, providing you with ...
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Analysis of Differential Gene Expression (DGE) in RNA Sequencing
What are Differentially Expressed Genes (DEGs) in Genetics? Differentially Expressed Genes (DEGs) are genes that exhibit significant differences in expression levels between two or more conditions or experimental groups. In genetics and genomics research, gene expression refers to the process through which the information encoded in a gene's DNA sequence is transformed into functional proteins ...
By CD Genomics
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Novel Mechanism of Glycosylation Regulating Pancreatic Cancer Reveled
Pancreatic cancer is a highly malignant digestive system tumor, and the five-year survival rate of patients after diagnosis is only about 10%. Changes in metabolism are one of the important features of tumor cells. Tumor cells undergo metabolic reprogramming to generate the substances, energy, and redox forces required for their rapid proliferation. The proliferation of pancreatic ductal ...
By CD BioGlyco.
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A Plant Immune Protein May be Expected to Completely Cure Cancer!
Cancer, caused by abnormal cell proliferation, is one of the world's major public health problems. Recently, in a research report entitled "A plant immune protein enables broad antitumor response by rescuing microRNA deficiency" published in Cell, Scientists from institutions such as Peking University have found that a special plant immune protein may achieve a broad spectrum of anti-tumor ...
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Four Well-Established Strategies Used in Hit Identification
The major preclinical phases of peptide drug discovery encompass initial target identification and validation, hit identification, high throughput screening, lead optimization, etc. Among them, hit identification is one of the most critical steps in identifying peptides that can interact with well-validated targets. Hit identification (HI) follows the process of target validation, in which the ...
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Useful Approaches for Labeling Peptides with Fluorescent Dyes
Due to the high sensitivity, flexibility, selectivity, and environmental stability, fluorescent techniques are broadly applied in biological research. Peptides provide unique possibilities for the development of efficient and selective fluorescent sensors because of their modular nature, synthetic accessibility, and biomolecular recognition potential. Accordingly, labeling peptides with ...
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The Mode of Action of Basic Proteins Involved in Cancer and Alzheimer's Disease Found
These proteins belonging to the HAT family are essential for life because they transport amino acids to the cell membrane. Although members of the family are nearly identical, they selectively transport certain amino acids. This specificity determines their involvement in specific functions, such as cell growth or neuronal function, and consequently in related diseases, such as cancer or ...
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Application of site-identification by ligand competitive saturation in computer-aided drug design
Abstract Site Identification by Ligand Competitive Saturation (SILCS) is a molecular simulation approach that uses diverse small solutes in aqueous solution to obtain functional group affinity patterns of a protein or other macromolecule. This involves employing a combined Grand Canonical Monte Carlo (GCMC)-molecular dynamics (MD) method to sample the full 3D space of the protein, including ...
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The Key Factor of Excellent Drug Efficacy: Chemical Structure of Drug
How to keep the drug active and give full play to its therapeutic effect has always been the primary problem to be solved by researchers in the field of pharmacy. It is a very complex process from drug administration to the generation of drug efficacy. Scientists have divided this process into three phases: Pharmaceutical phase, pharmacokinetic phase and pharmacodynamic phase. Only by ensuring ...
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What Are Potentials in Molecular Dynamics Simulation?
Introduction The atoms in biomolecules are always in constant motion, and the functions of molecules and the interactions between them are closely related to the dynamics of the molecules involved. In other words, to understand the working mechanism of proteins or other biomolecules, molecular biologists must first be able to clearly know the movement patterns of these biomolecules, and can ...
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Fabrication Of In-Vitro Phenotypically Stable Engineered Articular Cartilage
Researchers from IRCCS Istituto Ortopedico Rizzoli and Indian Institute of Technology, Delhi (IIT) used their REGENHU bioprinters to fabricate an in vitro phenotypically stable engineered articular cartilage by embedding human bone marrow-derived stromal cells (hMSCs) in a cell-laden silk fibroin–gelatin (SF-G) bioink. The bioprinted constructs allowed the in vitro study of chondrogenic ...
By Regenhu
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Chemyx Syringe Pumps in Neuroscience Research
Introduction The classical field of neuroscience entails biological or psychological investigation of the nervous system, including the brain, spinal cord and the systemic network of sensory nerve cells called neurons.1 Traditionally, this field comprised of purely biological studies but has since flourished into an interdisciplinary sphere addressing the developmental, physiological, ...
By Chemyx Inc
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Lethal and sublethal effects of phthalate diesters in Silurana tropicalis larvae
Phthalates are compounds used in polymers to increase their flexibility and are now ubiquitous in the environment due to widespread use. As few studies have focused on the adverse effects of these chemicals in aquatic species, this study aimed to determine the effects of phthalate diesters in amphibians. Western clawed frog (Silurana tropicalis) tadpoles were acutely exposed to water spiked ...
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Molecular dynamics simulation of the nano–ejection system with various interfacial wettabilities
Because of the significance of the interfacial phenomenon, this study examines the nanojet ejection systems with various interfacial wettabilities. A modified Lennard–Jones potential function was used to simulate the various solid–liquid interfacials from strongly hydrophilic to strongly hydrophobic. The properties distributions with various hydrophilic/hydrophobic interfaces are shown and ...
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Distinct mechanisms of endocrine disruption of DDT‐related pesticides toward ER α and ERR γ
Dichlorodiphenyl‐trichloroethane (DDT) is ubiquitous in the environment, and the exposure to DDT and its related pesticides has long been linked to endocrine disruption. The mechanism of endocrine disruption toward targeted receptors, however, remains unclear. Probing the molecular recognition of DDT analogs by targeted receptors at the atomic level is critical for deciphering this mechanism. ...
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