Results 21 to 30 of about 621,467 (206)

Carbonyl trapped in silico [PDF]

open access: yesNature Reviews Chemistry, 2020
A persistent silylene complex of CO is reminiscent of metal carbonyls and features interesting bonding interactions.
openaire   +2 more sources

Combined in silico/in vivo analysis of mechanisms providing for root apical meristem self-organization and maintenance. [PDF]

open access: yes, 2012
Background and aimsThe root apical meristem (RAM) is the plant stem cell niche which provides for the formation and continuous development of the root.
Doroshkov, AV   +8 more
core   +2 more sources

Reducing the Complexity of Musculoskeletal Models Using Gaussian Process Emulators

open access: yesApplied Sciences, 2022
Musculoskeletal models (MSKMs) are used to estimate the muscle and joint forces involved in human locomotion, often associated with the onset of degenerative musculoskeletal pathologies (e.g., osteoarthritis).
Ivan Benemerito   +3 more
doaj   +1 more source

Cellular Morphogenesis In Silico [PDF]

open access: yesBiophysical Journal, 2009
We describe a model that simulates spherical cells of different types that can migrate and interact either attractively or repulsively. We find that both expected morphologies and previously unreported patterns spontaneously self-assemble. Among the newly discovered patterns are a segmented state of alternating discs, and a "shish-kebab" state, in ...
Shinbrot, Troy   +3 more
openaire   +2 more sources

Global reactivity models are impactful in industrial synthesis applications

open access: yesJournal of Cheminformatics, 2023
Artificial Intelligence is revolutionizing many aspects of the pharmaceutical industry. Deep learning models are now routinely applied to guide drug discovery projects leading to faster and improved findings, but there are still many tasks with enormous ...
Paulo Neves   +8 more
doaj   +1 more source

EXPERIMENTAL TOXICOLOGY IN SILICO [PDF]

open access: yesBiomedical Papers, 2005
A review on applicability of in silico methods for toxicity testing by calculation for regulatory purposes, their survey and background of QSAR (Quantitative Structure-Activity Relationships) analysis are presented.
openaire   +2 more sources

An in silico MS/MS library for automatic annotation of novel FAHFA lipids. [PDF]

open access: yes, 2015
BackgroundA new lipid class named 'fatty acid esters of hydroxyl fatty acids' (FAHFA) was recently discovered in mammalian adipose tissue and in blood plasma and some FAHFAs were found to be associated with type 2 diabetes.
Fahrmann, Johannes F   +5 more
core   +2 more sources

In silico transitions to multicellularity

open access: yes, 2014
The emergence of multicellularity and developmental programs are among the major problems of evolutionary biology. Traditionally, research in this area has been based on the combination of data analysis and experimental work on one hand and theoretical ...
Duran-Nebreda, Salva, Solé, Ricard V.
core   +1 more source

Neuro-Oncology: Brownian Motion-Based Mathematical Treatment as a Potential Platform for Modeling the Infiltration of Glioma Cells into Normal Brain Tissue

open access: yesCancer Informatics, 2015
Intensive glioma tumor infiltration into the surrounding normal brain tissues is one of the most critical causes of glioma treatment failure. To quantitatively understand and mathematically simulate this phenomenon, several diffusion-based mathematical ...
Markos Antonopoulos, Georgios Stamatakos
doaj   +1 more source

Assessing the contribution of alternative splicing to proteome diversity in Arabidopsis thaliana using proteomics data [PDF]

open access: yes, 2011
Background - Large-scale analyses of genomics and transcriptomics data have revealed that alternative splicing (AS) substantially increases the complexity of the transcriptome in higher eukaryotes.
Severing, E.I.   +2 more
core   +2 more sources

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