Hybrid molecular dynamics (MD) simulations, in which the forces acting on the atoms are calculated by grid-based density functional theory (DFT) for a solute molecule and by a polarizable molecular mechanics (PMM) force field for a large solvent environment composed of several 10(3)-10(5) molecules, pose a challenge. A corresponding computational approach should guarantee energy conservation, e...

BACKGROUND Multiple imputation is often used for missing data. When a model contains as covariates more than one function of a variable, it is not obvious how best to impute missing values in these covariates. Consider a regression with outcome Y and covariates X and X2. In 'passive imputation' a value X* is imputed for X and then X2 is imputed as (X*)2. A recent proposal is to treat X2 as 'jus...

Leishmania donovani is the causative agent of the potentially fatal disease visceral leishmaniasis (VL). Chemotherapeutic options available to treat VL are limited and often face parasite resistance, inconsistent efficacy, and toxic side effects. Paromomycin (PMM) was recently introduced to treat VL as a monotherapy and in combination therapy. It is vital to understand the mechanisms of PMM res...

The airflow in dairy barns is affected by many factors, such as the barn’s geometry, weather conditions, configurations of openings, cows acting heat sources, flow obstacles, etc. Computational fluids dynamics (CFD) has advantages providing detailed information and allowing fully-controlled boundary therefore widely used livestock building research. However, due to limited computing power, nume...

The effects of blood components, nerve-cord severance, and ecdysone therapy on the posterior midgut epithelial cells of 5th-instar Rhodnius prolixus nymphs 10 days after feeding were analyzed by transmission electron microscopy. Cutting the nerve-cord of the blood-fed insects partially reduced the development of microvilli and perimicrovillar membranes (PMM), and produced large vacuoles and sma...

Human enterovirus 71 (EV71) is the major causative agent of hand, foot, and mouth disease (HFMD), particularly in infants and children below 4 years of age. Shikonin is a bioactive compound with anti-inflammatory, antiviral, and antibacterial activities derived from the roots of the Chinese medicinal herb Lithospermum erythrorhizon. This study aimed to examine the antiviral activity of PMM-034,...

BACKGROUND There is no consensus on the most appropriate approach to handle missing covariate data within prognostic modelling studies. Therefore a simulation study was performed to assess the effects of different missing data techniques on the performance of a prognostic model. METHODS Datasets were generated to resemble the skewed distributions seen in a motivating breast cancer example. Mu...

The role of post-market monitoring (PMM) in the safety assessment of novel foods is critically discussed in order to derive guidelines as to in which situations the application of PMM might be warranted. Available data sources on food consumption and health status, and the methodologies for generating such data are reviewed. The paper suggests improvements to make them more applicable for PMM p...

An organization’s performance in a project is determined by its ability to implement management knowledge and practices. This reflects the level of maturity (PMM). PMM premised on belief that higher level, successfully deliver project. With this mind, current paper aims determine type organizational aspects practices could influence success implementation organizations. For purpose, systematic ...