Results 301 to 310 of about 236,648 (327)

In Silico Modeling of Crabtree Effect

Endocrine, Metabolic & Immune Disorders - Drug Targets, 2017
Glycolytic activity during Crabtree effect is similar to that in tumor cells. Research regarding Crabtree effect is very much crucial.The mechanism of metabolic activities in glycolysis pathway and oxidative phosphorylation pathway in regards to Crabtree effect in Saccharomyces cerevisiae was studied in this paper.
Debraj, Ghosh, Rajat K, De
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Cytochrome P450 in Silico: An Integrative Modeling Approach

ChemInform, 2005
AbstractFor Abstract see ChemInform Abstract in Full Text.
de Graaf, C., Vermeulen, N.P.E., Feenstra, K.A.   +2 more
openaire   +3 more sources

In Silico Models for Nanomedicine: Recent Developments

Current Medicinal Chemistry, 2018
Nanomedicine is a recent promising setting for the advancement of current medical therapies, in particular for cancer. Nanoparticle-mediated therapies are aimed to tackle extremely complex phenomena, involving different biochemical, mechanical and biophysical factors.
Pietro, Mascheroni, Bernhard Aribo, Schrefler   +1 more
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Metabolic modeling of microbial strains in silico

Trends in Biochemical Sciences, 2001
The large volume of genome-scale data that is being produced and made available in databases on the World Wide Web is demanding the development of integrated mathematical models of cellular processes. The analysis of reconstructed metabolic networks as systems leads to the development of an in silico or computer representation of collections of ...
M W, Covert, C H, Schilling, I, Famili, J S, Edwards, I I, Goryanin, E, Selkov, B O, Palsson   +6 more
openaire   +2 more sources

In silico ADME/Tox: why models fail

Journal of Computer-Aided Molecular Design, 2003
By way of example, we discuss the apparent 'failure' of in silico ADME/Tox models and attempt to understand the causes. Often, the interpretation of the success of models lies in their use and the expectations of the user. Other times, models are, in fact, of little value. Disappointing results can be linked to the key aspects of the model and modeling
Terry R, Stouch, James R, Kenyon, Stephen R, Johnson, Xue-Qing, Chen, Arthur, Doweyko, Yi, Li   +5 more
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In Silico Assessment of ADME Properties: Advances in Caco-2 Cell Monolayer Permeability Modeling.

Current Topics in Medicinal Chemistry, 2019
One of the main goals of in silico Caco-2 cell permeability models is to identify those drug substances with high intestinal absorption in human (HIA).
H. Pham-The, M. Cabrera-Pérez, N. Nam, J. Castillo-Garit, B. Rasulev, Huong Le-Thi-Thu, G. Casañola-Martín   +6 more
semanticscholar   +1 more source

In Silico Modelling of Pesticide Aquatic Toxicity

Combinatorial Chemistry & High Throughput Screening, 2014
Human activities have introduced tens of thousands of chemicals into water systems around the world which has significantly impacted water quality and aquatic ecosystems. The aim of this study was to develop an in silico QSAR model, capable of predicting the aquatic toxicity of pesticides in terms of a lethal dose (LD50) for fish without requiring the ...
Agatonović-Kuštrin, Snežana, Morton, David W., Ražić, Slavica   +2 more
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In Silico Modeling of the Mitochondrial Pumping Complexes with Markov State Models.

Methods in molecular biology, 2021
R. Springett
semanticscholar   +1 more source

IN SILICO MODELS OF ACUTE INFLAMMATION IN ANIMALS

Shock, 2006
Trauma and hemorrhagic shock elicit an acute inflammatory response, predisposing patients to sepsis, organ dysfunction, and death. Few approved therapies exist for these acute inflammatory states, mainly due to the complex interplay of interacting inflammatory and physiological elements working at multiple levels.
Yoram, Vodovotz, Carson C, Chow, John, Bartels, Claudio, Lagoa, Jose M, Prince, Ryan M, Levy, Rukmini, Kumar, Judy, Day, Jonathan, Rubin, Greg, Constantine, Timothy R, Billiar, Mitchell P, Fink, Gilles, Clermont   +12 more
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In silico modelling--pharmacophores and hERG channel models.

Novartis Foundation symposium, 2005
In computational drug design, modelling studies are undertaken following two main strategies that depend on which information is available. If experimental data exist only for the molecules displaying the biological property of interest, a so-called ligand-based approach is taken; if information is available on the macromolecular target(s) of the ...
RECANATINI, MAURIZIO, CAVALLI, ANDREA, MASETTI, MATTEO   +2 more
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