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Large Libraries of Structurally Diverse Macrocycles Suitable for Membrane Permeation

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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 ...

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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 ...

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Genetic Algorithms for the Discovery of Homogeneous Catalysts

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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 ...

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Technology Mapping Using Multi-output Library Cells

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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 ...

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

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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 ...

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PMT: Power Measurement Toolkit

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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 ...

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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 ...

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De novo developed small cyclic peptides that are orally available

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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 ...

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

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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 ...

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

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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