Publication

A new synthetic access to furo[3,2-f]chromene analogues of an antimycobacterial

Related publications (27)

Opportunities and challenges in design and optimization of protein function

Bruno Emanuel Ferreira De Sousa Correia, Casper Alexander Goverde

The field of protein design has made remarkable progress over the past decade. Historically, the low reliability of purely structure-based design methods limited their application, but recent strategies that combine structure-based and sequence-based calcu ...

Nature Portfolio2024

Structure-function analysis of the cyclic β-1,2-glucan synthase from Agrobacterium tumefaciens

Henning Paul-Julius Stahlberg, Dongchun Ni

The synthesis of complex sugars is a key aspect of microbial biology. Cyclic beta-1,2-glucan (C beta G) is a circular polysaccharide critical for host interactions of many bacteria, including major pathogens of humans (Brucella) and plants (Agrobacterium). ...

Nature Portfolio2024

A Geometric Transformer for Structural Biology: Development and Applications of the Protein Structure Transformer

Lucien Fabrice Krapp

Proteins, the central building blocks of life, play pivotal roles in nearly every biological function. To do so, these macromolecular structures interact with their surrounding environment in complex ways, leading to diverse functional behaviors. The predi ...

EPFL2023

Computational conceptual design — typological exploration of spatial truss systems through optimization

Corentin Jean Dominique Fivet, Jonas Warmuth, Pierluigi D'Acunto

Exploring a wide range of design options is crucial for every sound conceptual design process. In the conventional structural design workflow, optimization techniques are generally employed to generate well-performing design options. However, focusing only ...

International Association for Shell and Spatial Structures (IASS)2023

Scaffolding protein functional sites using deep learning

Basile Isidore Martin Wicky, Jue Wang, Bruno Emanuel Ferreira De Sousa Correia, Karla Montserrat Castro Gilabert, Wayne Yang Wen Wei

The binding and catalytic functions of proteins are generally mediated by a small number of functional residues held in place by the overall protein structure. Here, we describe deep learning approaches for scaffolding such functional sites without needing ...

American Association for the Advancement of Science2022

Quantification of Strand Accessibility in Biostable DNA Origami with Single-Staple Resolution

Maartje Martina Cornelia Bastings, Alice Comberlato

DNA-based nanostructures are actively gaining interest as tools for biomedical and therapeutic applications following the recent development of protective coating strategies prolonging structural integrity in physiological conditions. For tailored biologic ...

AMER CHEMICAL SOC2021

High-resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica

Henning Paul-Julius Stahlberg, Jasenko Zivanov

Urease converts urea into ammonia and carbon dioxide and makes urea available as a nitrogen source for all forms of life except animals. In human bacterial pathogens, ureases also aid in the invasion of acidic environments such as the stomach by raising th ...

Nature Research2020

Structural and Photophysical Templating of Conjugated Polyelectrolytes with Single-Stranded DNA

Ursula Röthlisberger, Polydefkis Diamantis, Natalie Renuka Banerji

A promising approach to influence and control the photophysical properties of conjugated polymers is directing their molecular conformation by templating. We explore here the templating effect of single-stranded DNA oligomers (ssDNAs) on cationic polythiop ...

AMER CHEMICAL SOC2020

Rational design of ionic compounds for electrocatalytic reduction of carbon dioxide

Dmitry Vasilyev

Electrochemical reduction of carbon dioxide is one of the plausible approaches towards renewable energy carriers. When coupled with electricity, which can be provided by sustainable technologies, it becomes a method of high importance with potential value ...

EPFL2019

Towards the use of UHPFRC in railway bridges: the rehabilitation of Buna Bridge

Eugen Brühwiler, Dragan Damjanovic

In the last decade, Ultra High Performance Fibre Reinforced cement-based Composites (UHPFRC) have been increasingly implemented for rehabilitation and strengthening purposes, rendering outstanding results. The ease of application, along with their superior ...

CRC PRESS-TAYLOR & FRANCIS GROUP2019

A Bayesian approach to NMR crystal structure determination

Michele Ceriotti, David Lyndon Emsley, Albert Hofstetter, Federico Maria Paruzzo, Andrea Anelli, Edgar Albert Engel

Nuclear Magnetic Resonance (NMR) spectroscopy is particularly well suited to determine the structure of molecules and materials in powdered form. Structure determination usually proceeds by finding the best match between experimentally observed NMR chemica ...

2019

X-Shell Pavilion: A Deployable Elastic Rod Structure

Etienne Bouleau, Mark Pauly, Francis Julian Panetta, Florin Isvoranu, Tian Chen

We present the X-Shell pavilion, a lightweight structure composed of elastic beam elements joined in a special layout that allows easy on-site deployment. The structure’s undeployed assembly configuration lies mostly flat and is easy to build, consisting o ...

Ingenta2019

A template for constructing Bayesian networks in forensic biology cases when considering activity level propositions

Christophe Champod, Alex Biedermann

The hierarchy of propositions has been accepted amongst the forensic science community for some time. It is also accepted that the higher up the hierarchy the propositions are, against which the scientist are competent to evaluate their results, the more d ...

2018

Structural and functional analysis of host attachment proteins from contractile injection systems

Michel Plattner

Bacteriophages of the myoviridae family, R-type pyocin, Photorhabus virulence cassette (PVC), Serratia antifeeding prophage (Afp) and type 6 secretion system (T6SS) form a class of contractile injection systems that share common structural and functional c ...

EPFL2018

Cryogenic infrared spectroscopy as a probe of structure and dynamics of biomolecules

Valeriu Scutelnic

The pivotal theory of molecular biology states that the structure of biomolecules is directly related to their function in living systems. In this way, the structural investigation of biological molecules allows understanding and intervening in the fundame ...

EPFL2018

Bioinspired dual-stiffness origami

Dario Floreano, Jun Shintake, Stefano Mintchev

Origami manufacturing has led to considerable advances in the field of foldable structures with innovative applications in robotics, aerospace, and metamaterials. However, existing origami are either load-bearing structures that are prone to tear and fail ...

2018

Irreducible components of exotic Springer fibres

Neil John Saunders

Kato introduced the exotic nilpotent cone to be a substitute for the ordinary nilpotent cone of type C with cleaner properties. Here we describe the irreducible components of exotic Springer fibres (the fibres of the resolution of the exotic nilpotent cone ...

2018

The cold denaturation of IscU highlights structure–function dualism in marginally stable proteins

Paolo De Los Rios

Proteins undergo both cold and heat denaturation, but often cold denaturation cannot be detected because it occurs at temperatures below water freezing. Proteins undergoing detectable cold as well as heat denaturation yield a reliable curve of protein stab ...

2018

Low-rank tensor methods for large Markov chains and forward feature selection methods

Francisco Santos Paredes Quartin de Macedo

In the first part of this thesis, we present and compare several approaches for the determination of the steady-state of large-scale Markov chains with an underlying low-rank tensor structure. Such structure is, in our context of interest, associated with ...

EPFL2018

A discussion on the paper "Role of porosity on the stiffness and stability of (001) surface of the nanogranular C-S-H gel"

Paul Bowen, Aslam Kunhi Mohamed

This paper is a discussion of a recent publication by Sekkal and coworkers, which investigated the elasticity, cohesion, and stability of the C-S-H (001) surface as a function of porosity using molecular dynamics simulations. In our discussion, we highligh ...

Pergamon-Elsevier Science Ltd2017