Markov state models (MSMs) have been successful in computing metastable states, slow relaxation timescales and associated structural changes, and stationary or kinetic experimental observables of complex molecules from large amounts of molecular dynamics simulation data. However, MSMs approximate the true dynamics by assuming a Markov chain on a clusters discretization of the state space. This ...

Robins (1993, 1994, 1997, 1998ab) has developed a set of causal or counterfactual models, the structural nested models (SNMs). This paper describes an alternative new class of causal modelsthe (non-nested) marginal structural models (MSMs). We will then describe a class of semiparametric estimators for the parameters of these new models under a sequential randomization (i.e., ignorability) assu...

Purpose This paper aims to investigate the pass-through (PT) effect in Turkey by using quarterly data for period 1998: Q1-2019: Q2 understand dynamic potential effects of exchange rates on domestic prices. Design/methodology/approach The launches several nonlinear models which basic determinants prices are determined through Markov regime-switching (MSMs). Hence, this research follows variables...

Part of understanding a molecule's conformational dynamics is mapping out the dominant metastable, or long lived, states that it occupies. Once identified, the rates for transitioning between these states may then be determined in order to create a complete model of the system's conformational dynamics. Here we describe the use of the MSMBuilder package (now available at http://simtk.org/home/m...

Multi-sided markets (MSMs) have proven to be a successful business model in the dynamic electronic commerce environment. There exists variety of MSMs differing their provided features and services for participants. Existing taxonomies often focus on value creation business-to-business transactions. We apply Nickerson et al.’s taxonomy development approach. especially incorporated aspects orches...

Objective. To develop and compare HPLC-DAD and UHPLC-UV assays for the quantitation of posaconazole in bulk powder and suspension dosage form. Methods. Posaconazole linearity range was 5-50 μg/mL for both assays. For HPLC-DAD assay, samples were injected through Zorbax SB-C18 (4.6 × 250 mm, 5 μm) column. The gradient elution composed of the mobile phase acetonitrile: 15 mM potassium dihydrogen ...

Because of their wide use in molecular modeling, methods to compute molecular surfaces have received a lot of interest in recent years. However, most of the proposed algorithms compute the analytical representation of only the solvent-accessible surface. There are a few programs that compute the analytical representation of the solvent-excluded surface, but they often have problems handling sin...

Simulation results suggest that a maximum size matching (MSM) algorithm will lead to 100% throughput for uniform Bernoulli i.i.d traffic. Previous analysis on the throughput of MSM algorithms enforce deterministic constraints on the joint arrival traffic. In this paper we explore MSM algorithms under Bernoulli arrivals. We show that when the arrival traffic is admissible and cells are scheduled...

BACKGROUND Although vitamin D insufficiency is prevalent in the community, only a few population-based studies have measured serum 25-hydroxy-vitamin D (25OHD) levels during pregnancy and in newborns. Maternal vitamin D deficiency has been linked to pregnancy complications, as well as hypocalcaemia and rickets in the newborn. Here, the authors report third-trimester maternal and newborn-serum 2...