Is Molecular Dynamics the Future of Nanoengineering of Construction Materials?
Molecular dynamics to design roads, bridges, and houses? Yes, through nanoengineering of construction materials.
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How Does CRISPR-Cas9 Edit DNA? Under the Computational Microscope
CRISPR-Cas9: the gene editing tool reshaping our era. How does it cleave the DNA? Let’s take a peep through the computational microscope.
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Scientific Understanding in the Age of AI Oracles: A Journey Beyond Discovery
How is the concept of scientific understanding evolving in the age of AI? What exactly does this entail, and why does it matter?
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Can Quantum Chemistry Simulations Help Trace the Origin of Life?
From cosmic crucibles to Earth’s primordial soups, can quantum chemistry simulations help us understand how lifeless molecules sparked life?
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How Can Coarse-Grained Simulations Reveal Geckos’ Wall-Clinging Skills?
What’s actually going on at the molecular level when geckos get their Spider-Man on? Coarse-grained simulations provide an answer.
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Anion-Pi Interactions: Exploring The Land of Opportunity in Chemistry
Once theoretically predicted, then experimentally confirmed, anion-pi interactions have become central in various fields of chemistry.
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Serendipity in Science: What’s its Fate in the Age of AI?
What’s serendipity? Where does AI fit into the picture? And what can we anticipate for the future of scientific discovery?
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When Will RNA Structure Prediction Get Its AlphaFold Breakthrough?
We’ve mastered predicting protein structures from their sequences. Can we now replicate this success with RNA structure prediction?
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Water’s Hydrogen Bonds: What Makes Them Vital for Life As We Know It?
How can water’s hydrogen bonds have such a colossal impact on the existence of life on Earth and, potentially, everywhere else?
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All-Atom Molecular Dynamics of SARS-CoV-2: The Computational Microscope’s View of 305 Million Atoms
All-atom molecular dynamics simulations of the SARS-CoV-2 virus, featuring 305 million atoms! Is that even possible? Yes, it is.
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Enzymatic Reactions: Quantum Chemistry Modeling of Life’s Catalysts
Can we really investigate enzymatic reactions and estimate their activation energies with quantum chemistry? Let’s talk “cluster approach.”
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AI in Drug Discovery: Chasing Dreams, Facing Realities
Is AI the real deal in drug discovery? And if it is, how exactly is it going to disrupt the drug discovery process?
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The Lifesaving Hunch: How Rosenberg’s Unexpected Discovery of Cisplatin Changed Medicine
The discovery of cisplatin: a story of human curiosity and ingenuity inspiring a pivotal turn in medical history.
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60 Years in the Making: AlphaFold’s Historical Breakthrough in Protein Structure Prediction
After decades of scientific pursuit, machine-learning based AlphaFold has revolutionized protein structure prediction.
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Modeling the Origins of Life: Quantum Simulations of the Primordial Soup
Can quantum simulations of the primordial soup finally crack the mother of all questions: How did Life come to be?
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7 Noncovalent Interactions in Proteins: The Hidden Architects of Structures and Functions
Noncovalent interactions in proteins: the flexible wonders that bestow proteins the magic of three-dimensionality.
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Large Language Models for Chemistry: Is the Beginning of a New Era?
If I swap the metal in my metal-organic framework, will it be moisture-stable? Soon, we could ask our personal language models for chemistry.
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Multiscale Simulations of DNA: From Quantum Effects To Mesoscopic Processes
Multiscale simulations of DNA to tackle a challenge of epic proportions: Embark on a computational journey into the essence of our being.
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Quantum Biology: The Fuzzy Connection Between Quantum Mechanics and Living Things
When you really get down to it, all living things, including humans, are just excitations of the quantum fields. Ergo quantum biology.
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From Earth to the Cosmos: How Hydrogen Bonds Shape Life
They used to call me Dr. Hydrogen Bond. I was such a fan. Now, it turns out, hydrogen bonds might just be the secret ingredient of life.
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Computational Chemistry 2043: A Quantum Peep into the Future
You wake up and brew yourself a refreshing cup of coffee. Your calendar says it’s 2043. Time to run your daily computational chemistry simulations.
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Beyond The Stars: Astrochemistry’s Hunt For The Molecules of Life
Astrochemistry has discovered over 200 molecular species in the void of space. But the hunt for the molecules of life is not over yet.
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Holy Crap, Did We Just Discover a New Type of Chemical Bond?
The true story of how I went from almost having to leave Berlin to contributing to the discovery of the anion-pi Interactions in proteins.
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Unveiling Literature’s Genetic Code: Bioinformatics Meet Shakespeare
Shakespeare’s DNA? Dante’s RNA Infernal Structures? Discover Literature’s Genetic Code through bioinformatics.
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