Publications related to Library

Large Libraries of Structurally Diverse Macrocycles Suitable for Membrane Permeation

Christian Heinis, Xinjian Ji, Anne Sofie Luise Zarda, Alessandro Angelini, Alexander Lund Nielsen, Manuel Leonardo Merz, Ganesh Kumar Mothukuri, Mischa Schüttel, Zsolt Bognár, Edward Jeffrey Will

Macrocycles offer an attractive format for drug development due to their good binding properties and potential to cross cell membranes. To efficiently identify macrocyclic ligands for new targets, methods for the synthesis and screening of large combinator ...

Wiley-VCH Verlag GmbH2024

Advancing high-throughput combinatorial aging studies of hybrid perovskite thin films via precise automated characterization methods and machine learning assisted analysis

Christian Michael Wolff, Austin George Kuba, Alexander Wieczorek

To optimize material stability, automated high-throughput workflows are of increasing interest. However, many of those workflows either employ synthesis techniques not suitable for large-area depositions or are carried out in ambient conditions, which limi ...

Royal Society of Chemistry2024

Genetic Algorithms for the Discovery of Homogeneous Catalysts

Rubén Laplaza Solanas, Anne-Clémence Corminboeuf, Puck Elisabeth van Gerwen, Alexandre Alain Schöpfer, Simone Gallarati

In this account, we discuss the use of genetic algorithms in the inverse design process of homogeneous catalysts for chemical transformations. We describe the main components of evolutionary experiments, specifically the nature of the fitness function to o ...

2023

Technology Mapping Using Multi-output Library Cells

Giovanni De Micheli, Alessandro Tempia Calvino

Technology mapping transforms a technology-independent representation into a technology-dependent one given a library of cells. Even if technology libraries contain multi-output cells, state-of-the-art techniques fully exploit single-output cells only. Mul ...

2023

Design of an artificial phage-display library based on a new scaffold improved for average stability of the randomized proteins

Ghérici Hassaïne

Scaffold-based protein libraries are designed to be both diverse and rich in functional/folded proteins. However, introducing an extended diversity while preserving stability of the initial scaffold remains a challenge. Here we developed an original approa ...

Nature Portfolio2023

PMT: Power Measurement Toolkit

Emma Elizabeth Tolley, Stefano Corda

Efficient use of energy is essential for today's supercomputing systems, as energy cost is generally a major component of their operational cost. Research into "green computing" is needed to reduce the environmental impact of running these systems. As such ...

IEEE COMPUTER SOC2022

Generating macrocyclic inhibitors of protein-protein interactions

Gontran Sangouard

Protein-protein interactions (PPIs) play important roles in many diseases and their modulation is an attractive strategy for developing new therapeutics. However, the relatively large and often flat binding surfaces of PPIs makes the development of inhibit ...

EPFL2022

De novo developed small cyclic peptides that are orally available

Manuel Leonardo Merz

Cyclic peptides are ring-shaped molecules that emerged as a promising class of therapeutics. While it is often difficult to find small molecule binders for challenging disease targets, cyclic peptides can bind to featureless surfaces or inhibit protein-pro ...

EPFL2022

Solid-phase peptide synthesis on disulfide-linker resin followed by reductive release affords pure thiol-functionalized peptides

Christian Heinis, Zsolt Bognár, Alexander Lund Nielsen, Manuel Leonardo Merz, Ganesh Kumar Mothukuri, Peter Matei Frisius Pânzar

Thiol groups are suitable handles for site-selectively modifying, immobilizing or cyclizing individual peptides or entire peptide libraries. A limiting step in producing the thiol-functionalized peptides is the chromatographic purification, which is partic ...

2022

Redefining Access to Large Audiovisual Archives through Embodied Experiences in Immersive Environments: Creativity & Cognition 2022 - Graduate Student Symposium

Giacomo Alliata

Audiovisual archives are the mnemonic archives of the 21st century, with important cultural institutions increasingly digitizing their video collections. However, these remain mostly inaccessible, due to the sheer amount of content combined with the lack o ...

Association for Computing Machinery (ACM)2022

Energym: A Building Model Library for Controller Benchmarking

Paul Scharnhorst, Yves Stauffer, Tomasz Tadeusz Gorecki, Baptiste Schubnel

We introduce the Python-based open-source library Energym, a building model library to test and benchmark building controllers. The incorporated building models are presented with a brief explanation of their function, location and technical equipment. Fur ...

2021

Too Quiet in the Library: An Empirical Study of Security Updates in Android Apps' Native Code

Mathias Josef Payer

Android apps include third-party native libraries to increase performance and to reuse functionality. Native code is directly executed from apps through the Java Native Interface or the Android Native Development Kit. Android developers add precompiled nat ...

IEEE COMPUTER SOC2021

Methods for the generation of large combinatorial macrocycle libraries

Sevan Mleh Habeshian

Macrocycles are an attractive class of molecules due to their good binding properties and yet rather small size that allows, in many cases, crossing membranes to reach intracellular targets. In comparison to classical small molecule drugs, macrocycles are ...

EPFL2021

Spatiotemporal patterns of urbanization during the last four decades in Switzerland and their impacts on urban heat islands

Martí Bosch Padrós

Urbanization is nowadays a global phenomenon which is increasingly concentrating the world's population in cities. In Switzerland, recent decades have seen an unprecedented loss of arable land due to urbanization, which has triggered amendments in the spat ...

EPFL2021

Tamaas: a library for elastic-plastic contact of periodic rough surfaces

Jean-François Molinari, Guillaume Anciaux, Son-Jonathan Pham-Ba, Lucas Henri Galilée Frérot, Valentine Ginette Madeleine Rey

Tamaas: a library for elastic-plastic contact of periodic rough surfaces", published in the Journal of Open Source Softwares describes the free and open-source library Tamaas. More than five years in the making, Tamaas is a high performance C++/Python libr ...

2020

HALucinator: Firmware Re-hosting Through Abstraction Layer Emulation

Mathias Josef Payer

Given the increasing ubiquity of online embedded devices, analyzing their firmware is important to security, privacy, and safety. The tight coupling between hardware and firmware and the diversity found in embedded systems makes it hard to perform dynamic ...

USENIX ASSOC2020

SCALE/AMPX multigroup libraries for sodium-cooled fast reactor systems

Andreas Pautz, Winfried Zwermann, Friederike Bostelmann

New multigroup cross section libraries and associated covariance files that are optimized for the analysis of sodium-cooled fast reactors were generated with the AMPX tools distributed with the SCALE code system. These new libraries account for the fast ne ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands

Christian Heinis, Gerardo Turcatti, Julien Bortoli Chapalay, Xudong Kong, Van Manh Pham, Patrick Andreas Gonschorek, Jonathan Patrice Vesin, Sangram Shivdas Kale, Milan Bergeron-Brlek, João Miguel Franco Machado

Macrocyclic compounds are an attractive modality for drug development, but the limited availability of large, structurally diverse macrocyclic libraries hampers the discovery of leads. Here, we describe the discovery of efficient macrocyclization reactions ...

2019

A sequence-dependent coarse-grain model of B-DNA with explicit description of bases and phosphate groups parametrised from large scale Molecular Dynamics simulations

Alessandro Samuele Patelli

We introduce a sequence-dependent coarse-grain model of double-stranded DNA with an explicit description of both the bases and the phosphate groups as interacting rigid-bodies. The model parameters are trained on extensive, state-of-the-art large scale mol ...

EPFL2019

Rational design of a high-throughput droplet sorter

Tobias Schneider, Simon Sebastian Schütz

The high-throughput selection of individual droplets is an essential function in droplet-based microfluidics. Fluorescence-activated droplet sorting is achieved using electric fields triggered at rates up to 30 kHz, providing the ultra-high throughput rele ...

2019