نتایج جستجو برای: silico

تعداد نتایج: 23475  

Journal: :Wiley interdisciplinary reviews. Computational molecular science 2016
Arwa B Raies Vladimir B Bajic

Determining the toxicity of chemicals is necessary to identify their harmful effects on humans, animals, plants, or the environment. It is also one of the main steps in drug design. Animal models have been used for a long time for toxicity testing. However, in vivo animal tests are constrained by time, ethical considerations, and financial burden. Therefore, computational methods for estimating...

Journal: :The Journal of biological chemistry 2007
You-Kwan Oh Bernhard O Palsson Sung M Park Christophe H Schilling Radhakrishnan Mahadevan

In this report, a genome-scale reconstruction of Bacillus subtilis metabolism and its iterative development based on the combination of genomic, biochemical, and physiological information and high-throughput phenotyping experiments is presented. The initial reconstruction was converted into an in silico model and expanded in a four-step iterative fashion. First, network gap analysis was used to...

Journal: :Molecules 2010
Kenji Hori Hirotaka Sadatomi Atsuo Miyamoto Takaaki Kuroda Michinori Sumimoto Hidetoshi Yamamoto

This study describes an attempt to develop a synthetic route using theoretical calculations, i.e., in silico synthesis route development. The KOSP program created four potential synthetic routes for generating 2,6-dimethylchroman-4-one. In silico screening of these four synthetic routes was then performed. In silico screening involves theoretical analysis of synthetic routes prior to actual exp...

Journal: :ACS synthetic biology 2015
Hendrik W H van Roekel Lenny H H Meijer Saeed Masroor Zandra C Félix Garza André Estévez-Torres Yannick Rondelez Antonios Zagaris Mark A Peletier Peter A J Hilbers Tom F A de Greef

Molecular programming allows for the bottom-up engineering of biochemical reaction networks in a controlled in vitro setting. These engineered biochemical reaction networks yield important insight in the design principles of biological systems and can potentially enrich molecular diagnostic systems. The DNA polymerase-nickase-exonuclease (PEN) toolbox has recently been used to program oscillato...

Journal: :Developmental Biology 2008

Journal: :Seminars in Cell & Developmental Biology 2014

Journal: :Journal of Cheminformatics 2012

Journal: :Accounts of Chemical Research 2019

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