The thermal mean-square displacement (MSD) of hydrogen in proteins and its associated hydration water is measured by neutron scattering experiments and used an indicator of protein function. The observed MSD as currently determined depends on the energy resolution width of the neutron scattering instrument employed. We propose a method for obtaining the intrinsic MSD of H in the proteins, one t...

We propose a method for obtaining the intrinsic, long-time mean square displacement (MSD) of atoms and molecules in proteins from finite-time molecular dynamics (MD) simulations. Typical data from simulations are limited to times of 1 to 10 ns, and over this time period the calculated MSD continues to increase without a clear limiting value. The proposed method consists of fitting a model to MD...

This paper considers nonparametric estimation of autoregressive panel data models with fixed effects. A within-group type series estimator is developed and its convergence rate and asymptotic normality are derived. It is found that the series estimator is asymptotically biased and the bias could reduce the mean-square convergence rate compared with the cross section cases. A bias corrected nonp...

In this article the numerical approximation of solutions of Itô stochastic differential equations is considered, in particular for equations with a small parameter 2 in the noise coefficient. We construct stochastic linear multi-step methods and develop the fundamental numerical analysis concerning their mean-square consistency, numerical stability in the mean-square sense and mean-square conve...

This paper is concerned with studying the forgetting factor of the recursive least square (RLS). A new dynamic forgetting factor (DFF) for RLS algorithm is presented. The proposed DFF-RLS is compared to other methods. Better performance at convergence and tracking of noisy chirp sinusoid is achieved. The control of the forgetting factor at DFF-RLS is based on the gradient of inverse correlation...