Background: Vitamin D deficiency is common in inflammatory bowel disease (IBD). The aim
of the study was to determine the prevalence and predictors of vitamin D deficiency in an …

A package of computer programs for molecular dynamics simulations-MOIL-is described. A
flexible data structure enables the study of macromolecules with potentials consistent with …

Many algorithms are available for search of saddle points and transition states on molecular
energy surfaces. I Nevertheless the calculation of steepest descent paths (SOP) in flexible …

Background A simple model to predict nonalcoholic steatohepatitis (NASH) in patients with
nonalcoholic fatty liver disease is desirable to optimize the selection of patients for liver …

Background Impairment of health-related quality of life (HRQoL) is an important concern in
inflammatory bowel disease (IBD; ulcerative colitis [UC], Crohn's disease [CD]). Between 2%–…

The thermal properties of the ‘‘trajectory bundles’’ and the LES version of the classical Hartree
approximation are investigated. A systematic protocol to find an effective Lagrangian from …

BACKGROUND: The growing demand for endoscopy associated with colorectal cancer
screening has resulted in busier endoscopy units and an increase in the practice of open-access …

Simulations of argon diffusion and of picosecond recombination of nitric oxide to myoglobin
are presented. Three computational methods are compared, usual classical trajectories, …

We present a new method for approximating reaction paths and transition states of conformational
transitions in polyatomic systems. The method uses the quasi-harmonic properties of …

Results Eight consecutive children with traumatic bile duct injuries and bile leakage were
reviewed in this case series (Table 1). The patients were 5 boys and 3 girls, with a mean age of …