Publication

Cyclic Peptides for Drug Development

Publications associées (29)

Go to the Board: A Journey through the Life of Professor David A. Evans

By taking a journey through the events that happened during Professor David A. Evans' lifetime in the context of chemical synthesis and drug discovery, this in-focus article reflects upon Professor Evans' lifelong scientific and padegogical impacts on the ...

AMER CHEMICAL SOC2022

Assessing Computational Thinking: Development and Validation of the Algorithmic Thinking Test for Adults

Olivier Lévêque, Jessica Elke Dehler Zufferey, Cécile Hardebolle, Marc Lafuente Martinez

This study describes the development and validation process of a computational thinking (CT) test for adults. The team designed a set of items and explored a subset of those through two qualitative pilots. Then, in order to provide validity evidence based ...

2022

Towards Beam-Beam Simulations for FCC-ee

Tatiana Pieloni, Xavier Buffat, Péter Kicsiny, Mike Seidel, Giovanni Iadarola

The FCC-ee (Future Circular Collider) lepton collider is currently the most favored next generation research infrastructure project at CERN, aimed at studying properties of standard model particles with the highest precision ever. The chosen parameters of ...

JACoW Publishing, Geneva, Switzerland2022

Code Generation Approach Supporting Complex System Modeling based on Graph Pattern Matching

Dimitrios Kyritsis, Yan Yan, Jinzhi Lu

Code generation is an effective way to drive the complex system development in model-based systems engineering. Currently, different code generators are developed for different modeling languages to deal with the development of systems with multi-domain. T ...

ELSEVIER2022

Roadmap on Machine learning in electronic structure

Michele Ceriotti, Andrea Grisafi, Max David Veit, Jigyasa Nigam

In recent years, we have been witnessing a paradigm shift in computational materials science. In fact, traditional methods, mostly developed in the second half of the XXth century, are being complemented, extended, and sometimes even completely replaced by ...

IOP Publishing Ltd2022

Exploring Photoredox-Catalyzed (Re)functionalizations with Core-Modified Benziodoxolones

Jérôme Waser, Franck Le Vaillant, Stephanie Grace Elizabeth Amos

Alkynes and nitriles are valuable building blocks in organic synthesis and also have multiple applications in chemical biology and materials science. Due to the high availability of tertiary alcohols, developing methods for their conversion into alkynes an ...

2022

Supporting Developers in Creating Web Apps for Education via an App Development Framework

Denis Gillet, Sandy Ingram, Juan Carlos Farah

As more educational activities are conducted online, the need for interactive applications (apps) that can effectively support educators in their practice is increasing. These apps are often created by web developers or by researchers, educators, and even ...

Editorial Universitat Politècnica de València2022

Enantio- and diastereoselective construction of vicinal C(sp(3)) centres via nickel-catalysed hydroalkylation of alkenes

Xile Hu, Srikrishna Bera, Chao Fan

In drug discovery, the proportion of aliphatic carbons (C(sp(3))) and the presence of chiral carbons in organic molecules are positively correlated to their chance of clinical success. Although methods exist for the synthesis of chiral C(sp(3))-rich molecu ...

2022

Ontology-based system to support industrial system design for aircraft assembly

Dimitrios Kyritsis, Jinzhi Lu, Xiaochen Zheng

The development of an aircraft industrial system is a complex process which faces the challenge of digital discontinuity in multidisciplinary engineering due to various interfaces between different digital tools, leading to extra development time and costs ...

ELSEVIER2022