Results 31 to 40 of about 423,064 (316)

In silico experimental modeling of cancer treatment [PDF]

open access: yes, 2012
In silico experimental modeling of cancer involves combining findings from biological literature with computer-based models of biological systems in order to conduct investigations of hypotheses entirely in the computer laboratory.
Trisilowati, Mallet, Daniel G.
core   +1 more source

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

Toward in silico Catalyst Optimization

open access: yes, 2022
In this minireview, we overview a computational pipeline that can be used to successfully reproduce the enantiomeric ratios of homogeneous catalytic reactions.
Nicolai, Cramer   +4 more
core   +1 more source

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

The microcircuits of striatum in silico [PDF]

open access: yesProceedings of the National Academy of Sciences, 2020
The basal ganglia play an important role in decision making and selection of action primarily based on input from cortex, thalamus, and the dopamine system. Their main input structure, striatum, is central to this process. It consists of two types of projection neurons, together representing 95% of the neurons, and 5% of interneurons, among which are ...
Hjorth, J. J. Johannes   +11 more
openaire   +3 more sources

In Silico Protein Motif Discovery and Structural Analysis

open access: yes, 2021
A wealth of in silico tools is available for protein motif discovery and structural analysis. The aim of this chapter is to collect some of the most common and useful tools and to guide the biologist in their use.
Davey, Norman E.   +5 more
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

Combined In Silico, In Vivo, and In Vitro Studies Shed Insights into the Acute Inflammatory Response in Middle-Aged Mice [PDF]

open access: yes, 2013
We combined in silico, in vivo, and in vitro studies to gain insights into age-dependent changes in acute inflammation in response to bacterial endotoxin (LPS). Time-course cytokine, chemokine, and NO2-/NO3- data from "middle-aged" (6-8 months old) C57BL/
Vodovotz, Yoram   +36 more
core   +1 more source

Development and Validation of Two Intact Lumbar Spine Finite Element Models for In Silico Investigations: Comparison of the Bone Modelling Approaches

open access: yesApplied Sciences, 2022
Finite element (FE) analyses contribute to a better understanding of the human lumbar spine’s biomechanics and serve as an effective predictive tool.
Mate Turbucz   +6 more
doaj   +1 more source

In-Silico-Generated Library for Sensitive Detection of 2‑Dimethylaminoethylamine Derivatized FAHFA Lipids Using High-Resolution Tandem Mass Spectrometry

open access: yes, 2020
Fatty acid esters of hydroxy fatty acids (FAHFAs) are a family of recently discovered lipids with important physiological functions in mammals and plants.
Yu-Qi Feng   +13 more
core   +1 more source

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