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Thread: Quantum biology ? |
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Thread Status: Active Total posts in this thread: 2
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
January 16, 2007
----------------------------------------Quantum Biology: Powerful Computer Models Reveal Key Biological Mechanism "Until recently, scientists could not apply quantum mechanics to biological systems because of the large numbers of atoms involved. But the latest generation of supercomputers, along with the development of efficient mathematical tools to solve quantum mechanical equations, is making these calculations possible, according to Shemella." Umm, that excerpt is out of this link - can anyone give me 'cheat notes' on what this all means??  http://www.sciencedaily.com/releases/2007/01/070116133617.htm [Edit 3 times, last edit by Former Member at Jan 22, 2007 11:41:27 AM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
I'm no expert, but I believe it has to do with the degree of detail we can know about a biological system (protein folding, protein-ligand docking, protein-protein docking, etc). This is a link from IBM's Blue Gene website:
----------------------------------------http://www.research.ibm.com/journal/sj/402/allen5.gif A full quantum mechanical model would provide the most detail (that's a little out of my realm...Schrodinger Wave Equations, etc.). QMC@Home explores computation of electron positions in chemical systems. The more detail involved, the more computationally demanding the task is. Finally, the ultimate in treatment of interatomic interactions would include quantum mechanical (QM) methods that treat the actual electronic wave function of the system explicitly. Such calculations are used, in fact, to study relatively short-time biomolecular processes such as enzyme catalysis. I believe that HPF1 was implicit solvent, and HPF2 is explicit (full-atom) solvent. [Edit 2 times, last edit by Former Member at Jan 22, 2007 2:50:35 PM] |
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