Results 281 to 290 of about 93,106 (305)

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 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
openaire   +4 more sources

In Silico Models

2022
Daniel J. Pope, Robert Fryer, Spyros D. Masouros   +2 more
openaire   +1 more source

In Silico Models for Acute Systemic Toxicity

2016
In this chapter, we give an overview of the regulatory requirements for acute systemic toxicity information in the European Union, and we review the availability of structure-based computational models that are available and potentially useful in the assessment of acute systemic toxicity. The most recently published literature models for acute systemic
Julien, Burton, Andrew P, Worth, Ivanka, Tsakovska, Antonia, Diukendjieva   +3 more
openaire   +2 more sources

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
openaire   +2 more sources

Modeling condensate formation in silico

Nature Methods, 2022
openaire   +2 more sources

Modeling the human cardiome in silico

Journal of Nuclear Cardiology, 2000
openaire   +2 more sources

Strawberry and Ginger Silver Nanoparticles as Potential Inhibitors for SARS-CoV-2 Assisted by In Silico Modeling and Metabolic Profiling

Antibiotics, 2021
Mohammad M Al-Sanea, Narek Abelyan, Mohamed A Abdelgawad   +2 more
exaly  

In Silico ADME Modeling

2021
Ioana Oprisiu, Susanne Winiwarter
openaire   +1 more source

Molecular Modeling Techniques and In-Silico Drug Discovery

Methods in Molecular Biology, 2023
Angshuman Bagchi, Bagchi Angshuman
exaly