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Published in 2025 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.70118
Abstract: Vibrational spectroscopy calculations based on classical molecular dynamics simulations are widely employed in a variety of popular fields, for instance, computational biochemistry and materials science. These calculations commonly rely on the Fourier transform of the…
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Keywords:
spectroscopy;
chemistry;
web platform;
time ... See more keywords
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Published in 2018 at "IRBM"
DOI: 10.1016/j.irbm.2018.10.005
Abstract: Abstract Purpose From temporary need of help for household chores after a short stay at the hospital to complex healthcare due to chronic conditions, an important number of professional caregivers belonging to different organizations are…
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Keywords:
coordination;
web platform;
coordination home;
help healthcare ... See more keywords
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Published in 2017 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.7b00223
Abstract: Engineered nanomaterials (ENMs) are increasingly infiltrating our lives as a result of their applications across multiple fields. However, ENM formulations may result in the modulation of pathways and mechanisms of toxic action that endanger human…
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Keywords:
computational web;
web platform;
novel computational;
jaqpot quattro ... See more keywords
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Published in 2018 at "Nature methods"
DOI: 10.1038/s41592-018-0039-6
Abstract: Functional genomics networks are widely used to identify unexpected pathway relationships in large genomic datasets. However, it is challenging to compare the signal-to-noise ratios of different networks and to identify the optimal network with which…
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Keywords:
network based;
network;
unified web;
web platform ... See more keywords
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Published in 2017 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btx443
Abstract: Summary Large‐scale phosphoproteomics studies have improved our understanding of dynamic cellular signaling, but the downstream analysis of phosphoproteomics data is still a bottleneck. We develop DynaPho, a useful web‐based tool providing comprehensive and in‐depth analyses…
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Keywords:
dynapho web;
web platform;
time;
inferring dynamics ... See more keywords
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Published in 2025 at "Environmental Sciences Europe"
DOI: 10.1186/s12302-025-01084-y
Abstract: Globally, research and policy groups often lack the expertise to develop models to analyze invasive and native species of agroecological and veterinary/human health importance; models to inform management and policy under extant and climate change…
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Keywords:
based demographic;
biology;
web platform;
physiologically based ... See more keywords
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Published in 2025 at "BMC Biology"
DOI: 10.1186/s12915-025-02219-6
Abstract: Background RNA interference (RNAi) is a tool for studying gene function and has emerged as a promising eco-friendly alternative to chemical pesticides. RNAi relies on delivering double-stranded RNA (dsRNA), which is processed into small interfering…
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Keywords:
control;
pest control;
web platform;
optimizing dsrna ... See more keywords
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Published in 2019 at "International Journal of Grid and Utility Computing"
DOI: 10.1504/ijguc.2019.10021317
Abstract: We develop a system to help an oral exam for a programming class. Our programming class has a problem about the waiting time for the students. We assume that the waiting time can be reduced…
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Keywords:
exam programming;
oral exam;
programming class;
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Published in 2022 at "Frontiers in Medicine"
DOI: 10.3389/fmed.2022.965908
Abstract: Gene Set Analysis (GSA) is one of the most commonly used strategies to analyze omics data. Hundreds of GSA-related papers have been published, giving birth to a GSA field in Bioinformatics studies. However, as the…
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Keywords:
web platform;
gsa central;
gene set;
set analysis ... See more keywords
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Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms23095245
Abstract: PLATO (Polypharmacology pLATform predictiOn) is an easy-to-use drug discovery web platform, which has been designed with a two-fold objective: to fish putative protein drug targets and to compute bioactivity values of small molecules. Predictions are…
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Keywords:
web platform;
drug discovery;
platform;
small molecules ... See more keywords
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Published in 2025 at "PeerJ Computer Science"
DOI: 10.7717/peerj-cs.3236
Abstract: This work presents an innovative solution to simplify the creation of chatbots through a web platform with an intuitive interface. The platform was evaluated based on a pilot study with 30 university students, which revealed…
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Keywords:
platform creation;
creation automated;
development web;
creation ... See more keywords