objectives : the purpose of this in vitro study was to compare the marginal adaptation and fracture resistance of a zirconia-based all-ceramic restoration with two preparation designs. materials and methods: twenty-four mandibular premolars were randomly divided into two groups (n=12); the conventional group received a peripheral shoulder preparation and the modified group received a buccal sho...

Epigenetic dysfunction has been widely implicated in several diseases especially cancers thus highlights the therapeutic potential for chemical interventions in this field. With rapid development of computational methodologies and high-performance computational resources, computer-aided drug design has emerged as a promising strategy to speed up epigenetic drug discovery. Herein, we make a brie...

We consider lead discovery as active search in a space of labelled graphs. In particular, we extend our recent data-driven adaptive Markov chain approach, and evaluate it on a focused drug design problem, where we search for an antagonist of an αv integrin, the target protein that belongs to a group of Arg-Gly-Asp integrin receptors. This group of integrin receptors is thought to play a key rol...

Tautomers are often disregarded in computer-aided molecular modeling applications. Little is known about the different tautomeric states of a molecule and they are rarely registered in chemical databases. Tautomeric forms of a molecule differ in shape, functional groups, surface, and hydrogen-bonding pattern. Calculation of physical-chemical properties and molecular descriptors differ from one ...

Modern drug discovery is characterized by the production of vast quantities of compounds and the need to examine these huge libraries in short periods of time. The need to store, manage and analyze these rapidly increasing resources has given rise to the field known as computer-aided drug design (CADD). CADD represents computational methods and resources that are used to facilitate the design a...

The drug and pharmaceutical industry is a multi-billion dollar business that spends billions of dollars every year trying to optimize drugs and the way they are delivered to the body. Researchers and drug companies alike are mostly concerned with both the quantity and duration of drug presence in the body. Formulating new technologies and delivery mechanisms is a very cumbersome process that ca...

objectives : marginal adaptation is important for long-term success of full-coverage restorations. the aim of this study was to determine the effect of porcelain firing cycle and different thicknesses of ips e.max core on marginal accuracy of all-ceramic restorations. materials and methods : a standard stainless steel die with 0.8 mm classic chamfer finish line and 10° taper was used in this in...

during dental education, dental students learn how to examine patients, make diagnosis, plan treatment and perform dental procedures perfectly and efficiently. however, progresses in computer-based technologies including virtual reality (vr) simulators, augmented reality (ar) and computer aided design/computer aided manufacturing (cad/cam) systems have resulted in new modalities for instruction...

Computer-aided drug design (CADD) is an exciting and diverse discipline where various aspects of applied and basic research merge and stimulate each other. The latest technological advances (QSAR/QSPR, structure-based design, combinatorial library design, cheminformatics & bioinformatics); the growing number of chemical and biological databases; and an explosion in currently available software ...