【摘 要】
：
Single-molecule pulling experiment provides a powerful tool for a fundamental understanding of the structure,dynamics,and function of biological systems,suc
论文部分内容阅读
Single-molecule pulling experiment provides a powerful tool for a fundamental understanding of the structure,dynamics,and function of biological systems,such as the mechanical properties of protein unfolding [1].In experiments,pulling forces are applied to ends of the molecule,forcing the rare rupture event to occur more frequently.Generally,one expects that the average rupture time would decrease monotonically with increasing force.However,it was observed in experiments that the rupture time may show an abnormal increase for low forces,followed by a maximum and then decreases at higher forces[2].Although a few phenomenological models were introduced to address such an interesting behavior,a deep understanding of the underlying physical mechanism is still lacking.
其他文献
Despite the force-field based molecular dynamics(MD)simulation has been widely applied to rationalize the experimental observations and measurements in chem
Multidrug transporters(MDR),which mediate export of a broad range of chemically unrelatedsubstrates across the membranes,are the most important pumps for mu
A new set of transferable Dissipative Particle Dynamics(DPD)force field for phospholipids,glycosphingolipids,and polypeptides will be presented in this talk
The study of the ionic solutions is of long history and of great interest to many research fields ranging from medicine to energy.An important,but not yet c
Simulating biologically relevant timescales at atomic resolution is a challenging task since typical atomistic simulations are at least two orders of magnit
Strong metal-support interactions(SMSI)play significant roles in a series of heterogeneous catalysis,especially when involving reducible support.To probe me
Lignocellulosic biomass is the most abundant and renewable resource on earth,and has been claimed to be an ideal alternative to fossil fuels due to its pote
The weak intermolecular forces and spectroscopy of the van der Waals(vdW)complexes between rare-gas(Rg)atoms and the CS2 molecule have attracted considerabl
Methyl-coenzyme M reductase(MCR)is a nickel-containing enzyme responsible for the last step of methanogenesis in methanogenic archaeabacteria.It is capable
We report here our recent progresses in the development and application of multi-resolution and multi-canonical ensemble methods for improving the phase spa