Publications associées à PeSTo-Carbs: Geometric Deep Learning for Prediction of Protein-Carbohydrate Binding Interfaces

Publications associées (8)

Targeting protein-ligand neosurfaces with a generalizable deep learning tool

Luc Reymond, Sebastian Maerkl, Philippe Schwaller, Sandrine Madeleine Suzanne Georgeon, Anthony Marchand, Bruno Emanuel Ferreira De Sousa Correia, Pablo Gainza Cirauqui, Leo Scheller, Joseph Giuseppe Schmidt, Stephen Michael Buckley, Maddalena Elia, Arne Schneuing, Yangyang Miao, Martin Pacesa, Evgenia Elizarova, Rebecca Manuela Neeser

Molecular recognition events between proteins drive biological processes in living systems1. However, higher levels of mechanistic regulation have emerged, in which protein-protein interactions are conditioned to small molecules2, 3, 4-5. Despite recent ad ...

NATURE PORTFOLIO2025

Programmable supramolecular nanoarchitectures for targeting biological patterns

Artem Kononenko

Intricate spatial organization is omnipresent in biological systems across molecular, cellular, and tissue scales and has significant implications for health and disease. Biological patterns arise from complex molecular interactions and gradients, which, r ...

EPFL2025

Characterization of alternative splicing during mammalian brain development reveals the extent of isoform diversity and potential effects on protein structural changes

Leila Haj Abdullah Alieh

Regulation of gene expression is critical for fate commitment of stem and progenitor cells during tissue formation. In the context of mammalian brain development, a plethora of studies have described how changes in the expression of individual genes charac ...

COMPANY BIOLOGISTS LTD2024

Semiaromatic Polyamides with Re-Entrant Chain Folding Templated by "U-Turn" Repeat Units

John Christopher Plummer, Rosario Scopelliti, Julien Philippe Cretenoud, Holger Frauenrath, Farzaneh Fadaei Tirani, Bilal Özen, Michael Alan Giffin

Biopolymers often show deterministic chain folding templated by repeat unit sequences whose conformations are locked in by intramolecular interactions. In this work, we have used repeat units based on rigid anthracene or acridine scaffolds, which we refer ...

American Chemical Society2021

Small-Molecule Adsorption in Open-Site Metal-Organic Frameworks: A Systematic Density Functional Theory Study for Rational Design

Berend Smit

Using density functional theory, we systematically compute and investigate the binding enthalpies of 14 different small molecules in a series of isostructural metalorganic frameworks, M-MOF-74, with M = Mg, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn. The small ...

American Chemical Society2015

Real-Time Monitoring of Protein Conformational Changes Using a Nano-Mechanical Sensor

Giovanni Dietler, Paolo De Los Rios, Dusan Vobornik, Sandor Kasas, Livan Bladimir Alonso Sarduy, Fabrizio Benedetti, Giovanni Longo

Proteins can switch between different conformations in response to stimuli, such as pH or temperature variations, or to the binding of ligands. Such plasticity and its kinetics can have a crucial functional role, and their characterization has taken center ...

Public Library of Science2014

Active Conformation Control of Unfolded Proteins by Hyperthermal Collision with a Metal Surface

Klaus Kern, Stephan Rauschenbach, Gordon Rinke

The physical and chemical properties of macromolecules like proteins are strongly dependent on their conformation. The degrees of freedom of their chemical bonds generate a huge conformational space, of which, however, only a small fraction is accessible i ...

Amer Chemical Soc2014

Synthesis, structural characterization and applications of hyperbranched polymers based on L-lysine

Markus Scholl

L-lysine is an essential a-amino acid and a necessary building block for all proteins in the body. As an essential amino acid, L-lysine is not synthesized by humans or animals. Industrially produced L-lysine has therefore a big market as food additive, e.g ...

EPFL2007