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CHARMM is an academic research program used widely for macromolecular mechanics and dynamics with versatile analysis and manipulation tools of atomic coordinates and dynamics trajectories. CHARMM-GUI, http://www.charmm-gui.org, has been developed to provide a web-based graphical user interface to generate various input files and molecular systems to(More)
OBJECTIVE To examine familial clustering of attention-deficit/hyperactivity disorder (ADHD), ADHD subtypes, symptoms, and oppositional behaviors in affected sibling pairs (ASPs) and their parents. METHOD One hundred thirty-two ASPs, ranging in age from 5 to 25 years and ascertained through clinic and volunteer referrals, were examined for DSM-IV ADHD(More)
Protein-lipid interaction and bilayer regulation of membrane protein functions are largely controlled by the hydrophobic match between the transmembrane (TM) domain of membrane proteins and the surrounding lipid bilayer. To systematically characterize responses of a TM helix and lipid adaptations to a hydrophobic mismatch, we have performed a total of(More)
Liver transplantation is regarded as an effective treatment for early hepatocellular carcinoma (HCC). However, some patients experience recurrence and subsequently rapid progression of the disease. We investigated prognostic factors affecting survival after recurrence in patients who underwent adult living donor liver transplantation (LDLT) for HCC. From(More)
CHARMM36 (C36) is the most up-to-date pairwise additive all-atom lipid force field and is able to accurately represent bilayer properties of saturated and monounsaturated lipid molecules in the natural constant particle, pressure, and temperature (NPT) ensemble. However, molecular dynamics (MD) simulations on(More)
A mesoporous hybrid gel is prepared with tetraethoxysilane (TEOS) and bis(trimethoxysilyl)hexane (TSH) as precursors without using any templating agent. Nitrogen sorption, TG-DTA, FTIR, and point of zero charge (PZC) measurement are used to characterize the gel. The gel has a specific surface area of 695 m(2) g(-1) with a pore size of 3.5 nm, a pore volume(More)
The controlled release of vitamin B1 (VB1, thiamine hydrochloride) from mesoporous silica tablets coated with a series of sol-gel coatings was investigated. Tetraethoxysilane (TEOS), n-propyltriethoxysilane (PTES), n-octyltriethoxysilane (OTES), bis(trimethoxysilyl)hexane (TSH), bis(triethoxysilyl)octane (TSO), bis (trimethoxysilylpropyl)amine (TSPA), and(More)
Molecular dynamics simulations of membrane proteins have provided deeper insights into their functions and interactions with surrounding environments at the atomic level. However, compared to solvation of globular proteins, building a realistic protein/membrane complex is still challenging and requires considerable experience with simulation software.(More)
BACKGROUND Although liver regeneration is a fundamental aspect of living donor liver transplantation (LDLT), the factors that affect liver regeneration during the early post-transplantation period have not been thoroughly investigated. Recently it was suggested that platelets contribute to liver regeneration. The aim of the present study was to identify the(More)