Results 31 to 40 of about 496,469 (302)

Yin-yang in drug discovery: rethinking de novo design and development of predictive models

open access: yesFrontiers in Drug Discovery, 2023
Chemical and biological data are the cornerstone of modern drug discovery programs. Finding qualitative yet better quantitative relationships between chemical structures and biological activity has been long pursued in medicinal chemistry and drug ...
Ana L. Chávez-Hernández   +3 more
doaj   +1 more source

How accurate are the nonlinear chemical Fokker-Planck and chemical Langevin equations? [PDF]

open access: yes, 2011
The chemical Fokker-Planck equation and the corresponding chemical Langevin equation are commonly used approximations of the chemical master equation.
Straube, AV   +5 more
core   +1 more source

Phosphatidylinositol 4‐kinase as a target of pathogens—friend or foe?

open access: yesFEBS Letters, EarlyView.
This graphical summary illustrates the roles of phosphatidylinositol 4‐kinases (PI4Ks). PI4Ks regulate key cellular processes and can be hijacked by pathogens, such as viruses, bacteria and parasites, to support their intracellular replication. Their dual role as essential host enzymes and pathogen cofactors makes them promising drug targets.
Ana C. Mendes   +3 more
wiley   +1 more source

Development of a multi-compartment population balance model for high-shear wet granulation with discrete element method

open access: yes, 2017
This paper presents a multi-compartment population balance model for wet granulation coupled with DEM (discrete element method) simulations. Methodologies are developed to extract relevant data from the DEM simulations to inform the population balance ...
McGuire, Andrew D.   +6 more
core   +1 more source

Integrative and quantitative bioenergetics: Design of a study to assess the impact of the gut microbiome on host energy balance

open access: yesContemporary Clinical Trials Communications, 2020
The literature is replete with clinical studies that characterize the structure, diversity, and function of the gut microbiome and correlate the results to different disease states, including obesity. Whether the microbiome has a direct impact on obesity
Karen D. Corbin   +11 more
doaj   +1 more source

The mass transfer of chemical elements and of their compounds in agrocenoses

open access: yesБюллетень Почвенного института им. В.В. Докучаева, 2022
The analysis of publications on the mass transfer of chemical elements in agrocenosis in the soil – plant system was carried out. Methods for estimating the content of mobile forms of chemical compounds coming from the soil into plants are considered ...
T. I. Borisochkina   +2 more
doaj   +1 more source

Structural instability impairs function of the UDP‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans

open access: yesFEBS Letters, EarlyView.
The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li   +2 more
wiley   +1 more source

A quasi chemical approach for the modeling of predator-prey interactions [PDF]

open access: yesNetwork Biology, 2014
We aim to develop the reaction diffusion equation for different types of mechanism of the predator-prey interactions with quasi chemical approach. The chemical reactions representing the interactions obey the mass action law.
Muhammad Shakil   +2 more
doaj  

Synergy between Data Reconciliation and Principal Component Analysis in Energy Monitoring

open access: yesChemical Engineering Transactions, 2014
Monitoring of energy consumption is central importance for the energy-efficient operation of chemical processes. Fault detection and process monitoring systems can reduce the environmental impact and enhance safety and energy efficiency of chemical ...
B. Farsang, S. Németh, J. Abonyi
doaj   +1 more source

Chemical cannibalistic cues make damselfly larvae hide rather than hunt

open access: yesScientific Reports, 2023
Adopting cannibalism substantially affects individual fitness, and recognizing the presence of other cannibals provides additional benefits such as the opportunity to prepare for hunting or defense.
Monika Sysiak   +4 more
doaj   +1 more source

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