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Design of lattice proteins with explicit solvent

Publications associées (78)

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Augmenting large language models with chemistry tools

Philippe Schwaller, Oliver Tobias Schilter, Andres Camilo Marulanda Bran, Carlo Baldassari

Large language models (LLMs) have shown strong performance in tasks across domains but struggle with chemistry-related problems. These models also lack access to external knowledge sources, limiting their usefulness in scientific applications. We introduce ...

Nature Portfolio2024

An Ontology-based Engineering system to support aircraft manufacturing system design

Jinzhi Lu, Xiaochen Zheng

During the conceptual design phase of an aircraft manufacturing system, different industrial scenarios need to be evaluated against performance indicators in a collaborative engineering process. Domain experts' knowledge and the motivations for decision-ma ...

ELSEVIER SCI LTD2023

Alchemical analysis of FDA approved drugs

Philippe Schwaller, Daniel Probst, Jean-Louis Reymond, Markus Orsi

Chemical space maps help visualize similarities within molecular sets. However, there are many different molecular similarity measures resulting in a confusing number of possible comparisons. To overcome this limitation, we exploit the fact that tools desi ...

2023

On the Maximum Power Density of Implanted Antennas within Simplified Body Phantoms

Anja Skrivervik, Zvonimir Sipus, Mingxiang Gao

With the application requirements of wireless technology in implantable bioelectronics, knowledge of the fundamental limits for implanted antennas becomes critical. In this work, we investigated the variation of maximum power density within simplified body ...

IEEE2022

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Action-oriented, transformative, and transdisciplinary approaches are increasingly heralded as promising tools that enable researchers not only to produce new knowledge about a situation, but also to actively engage in tackling it; however, such approaches ...

2022

A Concideration of Typologies for Housing the Sick as a Spatial Manifestation of knowledge. ...

EPFL Press2022

A Theory of Value for Service Ecosystems

Blagovesta Hristova Kostova

In this thesis, we present a theory of value for the design and analysis of service ecosystems. The theory is based on general systems thinking. The concept of a system is used for relating knowledge from different disciplines (such as software engineering ...

EPFL2022

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The perception, physiology, behavior, and performance of building occupants are influenced by multi-domain exposures: the simultaneous presence of multiple environmental stimuli, i.e., visual, thermal, acoustic, and air quality. Despite being extensive, th ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Assessing and enhancing foldability in designed proteins

Bruno Emanuel Ferreira De Sousa Correia, Stéphane Rosset, Che Yang

Recent advances in protein-design methodology have led to a dramatic increase in reliability and scale. With these advances, dozens and even thousands of designed proteins are automatically generated and screened. Nevertheless, the success rate, particular ...

WILEY2022

In a geotechnical excavation, back analyses are routinely performed using the measured field responses to derive the material parameter values for the different soil layers present at the site. For the purpose of back analyses, the engineers will usually m ...

2021