Simulating Molecules: Can We Simulate Complexity?

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In summary, with the use of software such as ascalaph or abalone, it is possible to simulate physical movements and interactions of atoms and molecules. However, there is a possibility of one day simulating complex interactions between molecules in simple organisms like bacteria and even interactions between cells and a brain. With enough computing power and effective models, this could become a reality. Proteins and multiple protein structures can also be explored using this method. The potential for simulating an entire human, including consciousness, could lead to a better understanding of the brain and human interactions within society. With advancements in quantum computing, this may soon become a possibility.
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mateuszica
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We can simulate physical movements of atoms and molecules and how they interact with many software like ascalaph or abalone.
But can we one day simulate complex interaction of molecules like the interactions that happens inside a simple organism like a simple bacteria?
And going further, can we one day simulate interaction between cells and even simulate a brain (that is at its core only cells interaction)?
 
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With sufficient computing power, there is no reason why it should not be possible. It is easier with some effective models about the components, instead of a simulation of all atoms in the molecules.
Protein structures and even the combination of multiple proteins, with thousands of atoms in multiple molecules, are explored that way.
 
  • #3
Thats really great, imagine if we could simulate a entire human and simulate conscience, we could learn a lot about the brain and how it works! That would be great!
And even learn about society and how humans interact, if we could simulate a entire comunity of humans.
Maybe with the advance of quantum computing we could, very soon make it happen!
 
Last edited:

1. Can we accurately simulate the behavior of molecules?

Yes, with advanced computational techniques and powerful supercomputers, scientists can now simulate the behavior of molecules with high accuracy.

2. What type of molecules can be simulated?

Many types of molecules can be simulated, including organic molecules, inorganic molecules, and even large biomolecules like proteins and DNA.

3. How does simulating molecules help in scientific research?

Simulating molecules allows scientists to study the behavior and interactions of molecules at a molecular level, providing valuable insights into chemical reactions, material properties, and biological processes. This information can then be used to design new drugs, materials, and technologies.

4. What are the limitations of simulating molecules?

Simulating molecules can be computationally intensive and require a lot of time and resources. Additionally, the accuracy of the simulations depends on the quality of the simulation model and the input parameters.

5. Can simulating molecules replace real-life experiments?

No, simulating molecules cannot completely replace real-life experiments. While simulations can provide valuable insights, they still need to be validated and confirmed through experiments in the real world.

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