Tag: molecular dynamics
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How Structural Findings Explain Why GPCR Ligands Ignite Different Activation Levels
Understanding GPCRs and Their Ligands G-protein coupled receptors (GPCRs) are a vast family of cell-surface proteins that translate external chemical signals into cellular actions. Ligands—ranging from small molecules to peptides—bind to these receptors and trigger a cascade of molecular events inside the cell. The outcome can vary widely: some ligands yield a mild response, others…
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RNA Folding at Atomic Detail: How Molecular Dynamics Simulations Use Force Fields to Capture Structure
Overview: Why RNA Folding Matters in Molecular Dynamics Ribonucleic acid (RNA) is more than a genetic messenger. Its diverse roles in gene regulation, catalysis, and cellular maintenance depend on its ability to fold into intricate three-dimensional structures. Understanding these structures and the pathways by which RNA folds is crucial for uncovering mechanisms of biology and…
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RNA Folding under the Microscope: How Molecular Dynamics Shapes Understanding
Introduction: Why RNA Folding Matters Ribonucleic acid (RNA) is more than a messenger of genetic information. It plays diverse roles in gene regulation, processing, and maintenance across life’s domains. Understanding how RNA folds into its functional three-dimensional shapes is central to biology and medicine. In recent years, molecular dynamics (MD) simulations have emerged as a…
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Advancing RNA Folding Insights with Atomistic Molecular Dynamics Simulations
Introduction: The Power of Atomistic MD in RNA research Ribonucleic acid (RNA) is one of life’s most versatile molecules, orchestrating gene regulation, processing, and maintenance across diverse biological systems. To fully understand RNA function, researchers increasingly rely on molecular dynamics (MD) simulations that use atomistic force fields to capture the subtleties of folding, dynamics, and…
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New Physics in Metals Manufacturing: Hidden Chemical Patterns
Uncovering a Hidden Layer in Metal Manufacturing For decades, scientists believed that subtle chemical patterns in metal alloys were either too small to matter or easily erased during processing. A collaboration at MIT has upended that assumption by showing that these patterns persist in conventionally manufactured metals and can influence a wide range of material…
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Uncovering New Physics In Metals Manufacturing
Uncovering a Hidden Layer in Metal Manufacturing For decades, scientists believed that the subtle chemical patterns inside metal alloys were too small to matter or were erased during the brutal processes of manufacturing. New research from MIT shifts that view, showing that these patterns persist and influence a range of properties—from strength and durability to…
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AI Tensor Networks Solve Century-Old Physics Puzzle with THOR AI
New Computational Framework Tackles a Century-Old Challenge Researchers from The University of New Mexico (UNM) and Los Alamos National Laboratory (LANL) have unveiled a pioneering computational framework that dramatically improves how scientists compute the configurational integral—a central and notoriously difficult part of statistical physics. The team’s system, called THOR (Tensors for High-dimensional Object Representation) AI,…
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AI Tensor Network Solves Century-Old Physics Puzzle
A Breakthrough in Statistical Physics Researchers from The University of New Mexico (UNM) and Los Alamos National Laboratory (LANL) have unveiled a novel computational framework that tackles a long-standing obstacle in statistical physics. The THOR (Tensors for High-dimensional Object Representation) AI framework applies tensor network algorithms to compress and evaluate the sprawling configurational integrals and…