Molecular Dynamics Simulations of Duplex Stretching Reveal the Importance of Entropy in Determining the Biomechanical Properties of DNA

摘要: Advances in nanomanipulation techniques have made it possible to measure the response of an individual biomolecule a force applied laboratory. Experiments that stretch single molecule duplex DNA been difficult interpret theoretically, particularly as major changes molecular structure caused by cannot be measured. In principle, computer simulation can calculate these conformational atomic level detail, but date such studies failed reproduce experimental data due computational expense calculations. Here we show combination modeling and statistical physics used successfully understand stretching behavior DNA. Our simulations provide new information about dynamics denaturation under detail also importance entropy determining biomechanical properties general.