An interactive application, Modelface, was presented for Modeller software based on windows platform. The application is able to run all steps of homology modeling including pdb to fasta generation, running clustal, model building and loop refinement. Other modules of modeler including energy calculation, energy minimization and the ability to make single point mutations in the PDB structures a...

missing of mandibular second premolar is one of the most common types of tooth agenesis. in such cases, maintenance of the primary second molar, if possible at all, can prevent many treatment procedures in future. the present case report represents the endodontic management of a necrotic left mandibular primary second molar that had developed an abscess. considering the missing of the permanent...

MOTIVATION Traditionally, for packing calculations people have collected atoms together into a number of distinct 'types'. These, in fact, often represent a heavy atom and its associated hydrogens (i.e. a united atom). Also, atom typing is usually done according to basic chemistry, giving rise to 20-30 protein atom types, such as carbonyl carbons, methyl groups, and hydroxyl groups. No one has ...

developmental disturbances of the tongue (aglossia, macroglossia, microglossia, and ankyloglossia) can adversely affect the development of the surrounding structures including the palate, alveolar process, and teeth. these developmental disturbances impair functions such as mastication, speech, and swallowing. ankyloglossia is of various types and may be associated with other syndromic features...

Using information theory, it is argued that from among possible definitions of what an atom is when it is in a molecule, a particular one merits special attention. Namely, it is the atom defined by the "stockholders partitioning" of a molecule invented by Hirshfeld [(1977) Theor. Chim. Acta 44, 129]. The theoretical tool used is the minimum entropy deficiency principle (minimum missing informat...

Abstract Recently, high-entropy alloys (HEAs) designed by the concepts of unique entropy-stabilized mechanisms, started to attract widespread interests for their hydrogen storage properties. HEAs with body-centered cubic (BCC) structures present a high potential due hydrogen-to-metal ratio (up H / M = 2) and vastness compositions. Although many studies reported rapid absorption kinetics, invest...

BACKGROUND The objectives of this systematic review are to examine how researchers report missing data in questionnaires and to provide an overview of current methods for dealing with missing data. METHODS We included 262 studies published in 2010 in 3 leading epidemiologic journals. Information was extracted on how missing data were reported, types of missing, and methods for dealing with mi...

We propose a wavelet based regression function estimator for the estimation of the regression function for a sequence of ?-missing random variables with a common one-dimensional probability density function. Some asymptotic properties of the proposed estimator based on block thresholding are investigated. It is found that the estimators achieve optimal minimax convergence rates over large class...

In molecular mechanics (MM) studies, atom types and/or bond types of molecules are needed to determine prior to energy calculations. We present here an automatic algorithm of perceiving atom types that are defined in a description table, and an automatic algorithm of assigning bond types just based on atomic connectivity. The algorithms have been implemented in a new module of the AMBER package...