Markov state models (MSMs) have become the tool of choice to analyze large amounts of molecular dynamics data by approximating them as a Markov jump process between suitably predefined states. Here we investigate "Core Set MSMs," a new type of MSMs that build on metastable core sets acting as milestones for tracing the rare event kinetics. We present a thorough analysis of Core Set MSMs based o...

Marginal structural models (MSMs) allow estimation of effect modification by baseline covariates, but they are less useful for estimating effect modification by evolving time-varying covariates. Rather, structural nested models (SNMs) were specifically designed to estimate effect modification by time-varying covariates. In their paper, Petersen et al. (Am J Epidemiol 2007;000:000–00) describe h...

Saturn is orbited by a half dozen ice rich middle-sized moons (MSMs) of diverse geology and composition (e.g. Smith et al. , 1981; Thomas, 2010; Schenk et al. , 2011) that comprise ∼4.4% of Saturn’s satellite mass. The rest is Titan, more massive per planet than Jupiter’s satellites combined. Jupiter has no MSMs. Disk-based models to explain these differences exist (e.g. Sasaki et al. , 2010; C...

OBJECTIVES The lactulose:mannitol (L:M) diagnostic test is frequently used in field studies of environmental enteropathy (EE); however, heterogeneity in test administration and disaccharide measurement has limited the comparison of results between studies and populations. We aim to assess the agreement between L:M measurement between high-performance liquid chromatography with pulsed amperometr...

Objective. To quantify differences in results obtained by immunoassays (IAs) and tandem mass spectrometry (MSMS) for cortisol and free thyroxine (FT4). Design & Patients. Cortisol was measured over 60 minutes following a standard ACTH stimulation test (n = 80); FT4 was measured over time in two cohorts of pregnant (n = 57), and nonpregnant (n = 28) women. Measurements. Samples were analyzed wit...

Simulating biologically relevant timescales at atomic resolution is a challenging task since typical atomistic simulations are at least two orders of magnitude shorter. Markov State Model (MSMs) provide one means of overcoming this gap without sacrificing atomic resolution by extracting long time dynamics from short simulations. MSMs coarse grain space by dividing conformational space into long...

Robust control design for quantum systems has been recognized as a key task in quantum information technology, molecular chemistry and atomic physics. In this paper, an improved differential evolution algorithm of msMS DE is proposed to search robust fields for various quantum control problems. In msMS DE, multiple samples are used for fitness evaluation and a mixed strategy is employed for mut...

Much of epidemiology and clinical medicine is focused on estimating the effects of treatments or interventions administered over time. In such settings of longitudinal treatment, time-dependent confounding is often an important source of bias. Marginal structural models (MSMs) are a powerful tool for estimating the causal effect of a treatment using observational data, particularly when time-de...

Simulating biologically relevant timescales at atomic resolution is a challenging task since typical atomistic simulations are at least two orders of magnitude shorter. Markov State Models (MSMs) provide one means of overcoming this gap without sacrificing atomic resolution by extracting long time dynamics from short simulations. MSMs coarse grain space by dividing conformational space into lon...

Mesoporous silica materials (MSMs) produced by true liquid crystal templating (TLCT) are often considered as direct inverted replicas of the initial lyotropic (LLC) phase. However, predictive design tailor-made MSMs requires full knowledge TLCT process, which is still incomplete. Here, we tackle this issue monitoring structural evolution during process small-angle X-ray scattering, showing that...