Green synthesis of new sulfanyl derivatives of ampyrone and prediction of their anti-inflammatory activity

NS Akhmadiev, ES Mescheryakova… - Chemistry of …, 2020 - Springer
A selective method was developed for the synthesis of acyclic sulfanyl derivatives of
ampyrone by thiomethylation reaction of 4-amino-2, 3-dimethyl-1-phenyl-3-pyrazolin-5-one …

An innovative science gateway for the cherenkov telescope array

A Costa, P Massimino, M Bandieramonte… - Journal of Grid …, 2015 - Springer
Abstract The Cherenkov Telescope Array (CTA) is currently building the next generation,
ground-based, very high-energy gamma-ray instrumentation. CTA is expected to collect very …

Scientific Workflow Management--For Whom?

S Olabarriaga, G Pierantoni, G Taffoni… - 2014 IEEE 10th …, 2014 - ieeexplore.ieee.org
Workflow management has been widely adopted by scientific communities as a valuable
tool to carry out complex experiments. It allows for the possibility to perform computations for …

A multi‐infrastructure gateway for virtual drug screening

MM Jaghoori, AJ van Altena… - Concurrency and …, 2015 - Wiley Online Library
In computer‐aided drug design, software tools are used to narrow down possible drug
candidates, thereby reducing the amount of expensive in vitro research, by a process called …

Reflections on science gateways sustainability through the business model canvas: case study of a neuroscience gateway

S Shahand, J van Duffelen… - Concurrency and …, 2015 - Wiley Online Library
The sustainability of science gateways has been a topic of active discussion because they
have been created and supported in the context of temporary research and infrastructure …

A design pattern for optimizations in data intensive applications using ABS and JAVA 8

V Serbanescu, K Azadbakht, F de Boer… - Concurrency and …, 2016 - Wiley Online Library
Cloud environments have become a standard method for enterprises to offer their
applications by means of web services, data management systems, or simply renting out …

Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry

J Arshad, A Hoffmann, S Gesing, R Grunzke… - Journal of …, 2016 - Springer
Abstract Background In Quantum Chemistry, many tasks are reoccurring frequently, eg
geometry optimizations, benchmarking series etc. Here, workflows can help to reduce the …

A Non Exhaustive Search of Exhaustiveness

LKS Cecotti, MDC Balboni, OEA Arce… - Brazilian Symposium on …, 2022 - Springer
Abstract Knowledge of how small molecules interact with target proteins is of great interest in
many fields, especially in drug discovery. Generally, this knowledge is obtained in time …

[КНИГА][B] Science gateways for biomedical big data analysis

S Shahand - 2015 - dare.uva.nl
According to the Californian Biomedical Research Association, biomedical research is a
broad area of science that carefully investigates biological processes to advance our …

" Зеленый" синтез новых сульфанилпроизводных ампирона и прогноз их противовоспалительной активности

НС Ахмадиев, ЕС Мещерякова… - Chemistry of …, 2020 - hgs.osi.lv
Разработан селективный метод синтеза ациклических сульфанилпроизводных
ампирона реакцией тиометилирования 4-амино-2, 3-диметил-1-фенил-3-пиразолин-5 …