Concept
Industrie pharmaceutique
Publications associées (65)
From Sequence to Dynamics to Function: Computational Design of Allostery and Ligand Selectivity in G-Protein Coupled Receptors
The phenomenon of allostery, a general property in proteins that has been heralded as "the second secret of life" remains elusive to our understanding and even more challenging to incorporate into protein design. One example of allosteric proteins with gre ...
EPFL2024First Advanced Bilayer Scaffolds for Tailored Skin Tissue Engineering Produced via Electrospinning and Melt Electrowriting
Biranche Tandon, Nicolas Tissot
In vitro skin models are validated methods for screening cosmetics and pharmaceuticals, but still have limitations. The bilayer poly(epsilon-caprolactone) scaffold/membrane model described here overcomes some of these deficits by integrating a solution ele ...
Weinheim2024Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement Learning
Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal calls to oracles (computational property predictors). This problem becomes more apparen ...
Amer Chemical Soc2024Epidemicity of cholera spread and the fate of infection control measures
Andrea Rinaldo, Cristiano Trevisin, Lorenzo Mari, Damiano Pasetto, Joseph Chadi Benoit Lemaitre, Marino Gatto
The fate of ongoing infectious disease outbreaks is predicted through reproduction numbers, defining the long-term establishment of the infection, and epidemicity indices, tackling the reactivity of the infectious pool to new contagions. Prognostic metrics ...
2022Novel irreversible covalent BTK inhibitors discovered using DNA-encoded chemistry
Sevan Mleh Habeshian, Ying Zhang
Libraries of DNA-Encoded small molecules created using combinatorial chemistry and synthetic oligonucleotides are being applied to drug discovery projects across the pharmaceutical industry. The majority of reported projects describe the discovery of rever ...
PERGAMON-ELSEVIER SCIENCE LTD2021A computational workflow for the expansion of heterologous biosynthetic pathways to natural product derivatives
Vassily Hatzimanikatis, Jasmin Maria Hafner
Plant natural products (PNPs) and their derivatives are important but underexplored sources of pharmaceutical molecules. To access this untapped potential, the reconstitution of heterologous PNP biosynthesis pathways in engineered microbes provides a valua ...
NATURE RESEARCH2021Electrochemical determination of nicotine in smokers' sweat
In this work, we report the demonstration of the capability of electrochemical sensors to provide measurements directly on the sweat of volunteers to successfully discriminate heavy smokers by light ones. Since its importance as pharmaceutical treatment-ag ...
ELSEVIER2020