We use Markov state models (MSMs) to analyze the dynamics of a β-hairpin-forming peptide in Monte Carlo (MC) simulations with interacting protein crowders, for two different types of crowder proteins [bovine pancreatic trypsin inhibitor (BPTI) and GB1]. In these systems, at the temperature used, the peptide can be folded or unfolded and bound or unbound to crowder molecules. Four or five major ...

Crenate broomrape (Orobanche crenata) is considered to be the major constraint for legume crops in Mediterranean countries. Strategies of control have been developed, but only marginal successes have been achieved. For the efficient control of the parasite, a better understanding of its interaction and associated resistance mechanisms at the molecular level is required. The pea response to this...

Introduction: Pain as a complex process in the CNS has been extensively studied by many researchers. It has been found that pain is controlled by certain pathways in the CNS, one of most important of which is the descending noradrenergic system. The pathway begins with Locus Coeruleus (LC) nucleus and ends in the spinal cord. In this study, formalin test was used as a chemical and tonic pain...

objective: ipomoea mauritiana is used in both ayurveda and folk medicine systems. the tuberous roots are known to be diuretic, depurative, carminative, and anthelmintic. the objective of the current study was to identify phenolic antioxidants from i. mauritiana using spectrophotometric and lc-ms analysis. materials and methods: an activity-guided fractionation and purification process was used t...

Introduction: Previous studies have shown that stimulation of lateral hypothalamus (LH) produces antinociception. Orexin-A (OXA) receptor is strongly expressed in the nucleus locus coeruleus (LC) and orexinergic fibers densely project from LH to LC. In this study, we assessed the role of LC and its OXA receptors in antinociceptive response induced by LH chemical stimulation in the rat. Meth...

introduction: it is believed that locus coeruleus (lc) influences the sensory information processing. however, its role in cortical surround inhibitory mechanism is not understood. in this experiment, using controlled mechanical displacement of whiskers we investigated the effect of phasic electrical stimulation of lc on response of layer v barrel cortical neurons in anesthetized rat. methods: ...

We consider a continuous-time, ergodic Markov process on a large continuous or discrete state space. The process is assumed to exhibit a number of metastable sets. Markov state models (MSMs) are designed to represent the effective dynamics of such a process by a Markov chain that jumps between the metastable sets with the transition rates of the original process. MSMs have been used for a numbe...

Markov state models of molecular kinetics (MSMs), in which the long-time statistical dynamics of a molecule is approximated by a Markov chain on a discrete partition of configuration space, have seen widespread use in recent years. This approach has many appealing characteristics compared to straightforward molecular dynamics simulation and analysis, including the potential to mitigate the samp...

One of the main objectives in clinical epidemiology is to detect a relation between treatment and outcome. We address data where treatment is applied repeatedly in time and the dose given at a specific time-point may be modified due to actual measurements on disease parameters. If such measurements are subsequently affected by the treatment, they might act as time-dependent confounders. Standar...