Results 71 to 80 of about 423,064 (316)

Numerical simulation of waste landfill biodegradation: Fitting experimental data

open access: yesDyna
Landfill remains economically viable for the disposal of Municipal Solid Waste (MSW), however, experiences of failure in several Colombian and global locations, lead to soil, water, and air pollution, harming ecosystems, and biodiversity.
Vladimir Buelvas-Hernandez   +2 more
doaj   +1 more source

In silico toxicology protocols

open access: yesRegulatory Toxicology and Pharmacology, 2018
The present publication surveys several applications of in silico (i.e., computational) toxicology approaches across different industries and institutions. It highlights the need to develop standardized protocols when conducting toxicity-related predictions.
Myatt, Glenn J.   +83 more
openaire   +2 more sources

In Silico Transitions to Multicellularity [PDF]

open access: yes, 2015
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 approximations on the other.
Solé, Ricard V., Duran-Nebreda, Salva
openaire   +2 more sources

The in silico human surfaceome [PDF]

open access: yesProceedings of the National Academy of Sciences, 2018
Significance Despite the fundamental importance of the surfaceome as a signaling gateway to the cellular microenvironment, it remains difficult to determine which proteoforms reside in the plasma membrane and how they interact to enable context-dependent signaling functions.
Damaris Bausch-Fluck   +6 more
openaire   +3 more sources

Chameleon sequences reveal structural effects in proteins representing micelle‐like distribution of hydrophobicity

open access: yesFEBS Open Bio, EarlyView.
Amino acids sequence of two different proteins with the same sequence (chameleon sequence—black boxes) represent in 3D structure of the proteins different secondary structures: HHHH—helical and BBB—Beta‐structural. The chains folded in water environment adopt different III‐order structures in which the chameleon fragments appear to adopt similar status
Irena Roterman   +4 more
wiley   +1 more source

Improving route development using convergent retrosynthesis planning

open access: yesJournal of Cheminformatics
Retrosynthesis consists of recursively breaking down a target molecule to produce a synthesis route composed of readily accessible building blocks. In recent years, computer-aided synthesis planning methods have allowed a greater exploration of potential
Paula Torren-Peraire   +5 more
doaj   +1 more source

Proteasomal degradation of intracellularly expressed Amblyomin‐X limits suicide gene therapy potential in melanoma cells

open access: yesFEBS Open Bio, EarlyView.
This study explores the feasibility of expressing the antitumoral protein Amblyomin‐X through a suicide gene therapy approach and investigates its intracellular fate after gene delivery. Although the gene is efficiently expressed, melanoma cells rapidly degrade the Amblyomin‐X protein via proteasome activity.
Victor Dal Posolo Cinel   +4 more
wiley   +1 more source

Considering Population Variability of Electrophysiological Models Improves the In Silico Assessment of Drug-Induced Torsadogenic Risk

open access: yes, 2022
This repository contains the parameter sets of the population of TorORd models and the the population of ORdmD models, the ORdmD CellML file and MALTAB code used in Llopis-Lorente, J., Trenor, B., Saiz, J. (2022).
Trenor Gomis, Beatriz Ana   +2 more
core  

In silico evolution of diauxic growth [PDF]

open access: yes, 2015
The glucose effect is a well known phenomenon whereby cells, when presented with two different nutrients, show a diauxic growth pattern, i.e. an episode of exponential growth followed by a lag phase of reduced growth followed by a second phase of ...
Dominique F. Chu, Chu, Dominique
core   +1 more source

Optimization of an in silico protocol to characterize membrane PAINS

open access: yes, 2021
Membrane Pan-Assay INterference compoundS (PAINS) are a class of molecules that interact non-specifically with lipid bilayers and alter their physicochemical properties.
Pedro B. P. S., Reis   +4 more
core   +1 more source

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