This paper describes modeling and simulation for the growth and dissolution of oxygen precipitates in Czochralski silicon(CZ) wafers during heat treatment. Growth and dissolution rates arc newly derived and inserted into a set of chemical rate equations(CILEs) and a Fokkor-Planck equation(FPE). Annealing ambients and surface conditions are taken into account for solving continuity equations in ...

autosomal dominant congenital cataract (adcc) is the most common form of inherited cataracts and accounts for one-third of congenital cataracts. heterozygous null mutations in the crystallin genes are the major cause of the adcc. this study aims to detect the mutational spectrum of four crystallin genes, cryba1/a3 , crybb1 , crybb2 and crygd in an iranian family. genomic dna was isolated from w...

mycobacterium tuberculosis, the main cause of tuberculosis (tb), has still remained a global health crisis especially in developing countries. tuberculosis treatment is a laborious and lengthy process with high risk of non compliance, cytotoxicity adverse events and drug resistance in patient. recently, there has been an alarming rise of drug resistant in tb. in this regard, it is an unmet need...

owing to essential role in bacterial survival, dna gyrase has been exploited as a validated drug target. however, rapidly emerging resistance to gyrase-targeted drugs such as widely utilized fluoroquinolones reveals the necessity to develop novel compounds with new mechanism of actions against this enzyme. here, an attempt has been made to identify new drug-like molecules for shigella flexneri ...

HER-2 overexpression is present in approximately 20% of breast cancer. This research aims to study the interactions α-humulene protein by using silico molecular docking. The experiment was carried out preparation (PDB ID 3PP0), docking validation, optimization, and results showed that had binding energy -7.50 kcal/mol, Van der Waals -7.48 electrostatic -0.02 kcal/mol. α-Humulene potential as an...

BACKGROUND In-silico virtual patients and trials offer significant advantages in cost, time and safety for designing effective tight glycemic control (TGC) protocols. However, no such method has fully validated the independence of virtual patients (or resulting clinical trial predictions) from the data used to create them. This study uses matched cohorts from a TGC clinical trial to validate vi...

Citation: Ibrar A, Khan A, Ali M, Sarwar R, Mehsud S, Farooq U, Halimi SMA, Khan I and Al-Harrasi A (2018) Combined in Vitro and in Silico Studies for the Anticholinesterase Activity and Pharmacokinetics of Coumarinyl Thiazoles and Oxadiazoles. Front. Chem. 6:61. doi: 10.3389/fchem.2018.00061 Combined in Vitro and in Silico Studies for the Anticholinesterase Activity and Pharmacokinetics of Cou...

In silico approaches have been widely recognised to be useful for drug discovery. Here, we consider the significance of available databases of medicinal plants and chemo- and bioinformatics tools for in silico drug discovery beyond the traditional use of folk medicines. This review contains a practical example of the application of combined chemo- and bioinformatics methods to study pleiotropic...

109 ISSN 1741-0541 10.2217/PME.12.1 © 2012 Future Medicine Ltd Personalized Medicine (2012) 9(2), 109–114 “On the road towards in silico humans with in silico diseases that are applicable to treatment prediction in personalized medicine, it is necessary to consider the intermediate steps where statistical models are built for the purposes of both prediction and systems level understanding, from...