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Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides
Related publications (48)
NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning
Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...
EPFL2023Deep learning approaches for conformational flexibility and switching properties in protein design
Patrick Daniel Barth, Mahdi Hijazi
Following the hugely successful application of deep learning methods to protein structure prediction, an increasing number of design methods seek to leverage generative models to design proteins with improved functionality over native proteins or novel str ...
2022On the use of direct-coupling analysis with a reduced alphabet of amino acids combined with super-secondary structure motifs for protein fold prediction
Direct-coupling analysis (DCA) for studying the coevolution of residues in proteins has been widely used to predict the three-dimensional structure of a protein from its sequence. We present RADI/raDIMod, a variation of the original DCA algorithm that grou ...
OXFORD UNIV PRESS2021SPServer: split-statistical potentials for the analysis of protein structures and protein-protein interactions
BackgroundStatistical potentials, also named knowledge-based potentials, are scoring functions derived from empirical data that can be used to evaluate the quality of protein folds and protein-protein interaction (PPI) structures. In previous works we deco ...
BMC2021Nicotine increases sleep spindle activity
Studies have shown that both nicotine and sleep spindles are associated with enhanced memorisation. Further, a few recent studies have shown how cholinergic input through nicotinic and muscarinic receptors can trigger or modulate sleep processes in general ...
WILEY2019A Bayesian approach to NMR crystal structure determination
David Lyndon Emsley, Michele Ceriotti, Albert Hofstetter, Edgar Albert Engel, Federico Maria Paruzzo, Andrea Anelli
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 ...
2019Molecular Imaging of Biopolymers Enabled by Electrospray-Ion Beam Deposition
Biomolecular functional complexes often serve as inspiration for the development of artificial molecular nanostructures. The functionality of the biomolecular structures is based on complex and adaptable binding motifs that have evolved over billions of ye ...
EPFL2017Structure of fully protonated proteins by proton-detected magic-angle spinning NMR
David Lyndon Emsley, Andrea Bertarello
Protein structure determination by proton-detected magic-angle spinning (MAS) NMR has focused on highly deuterated samples, in which only a small number of protons are introduced and observation of signals from side chains is extremely limited. Here, we sh ...
National Academy of Sciences2016Converting disulfide bridges in native peptides to stable methylene thioacetals
Nicolai Cramer, Christopher Matthew Bandeli Kourra
Disulfide bridges play a crucial role in defining and rigidifying the three-dimensional structure of peptides. However, disulfides are inherently unstable in reducing environments. Consequently, the development of strategies aiming to circumvent these defi ...
Royal Soc Chemistry2016A biocompatible "split luciferin" reaction and its application for non-invasive bioluminescent imaging of protease activity in living animals
Aurélien Godinat, Alma Rosa Morales Morales, Ghyslain Martial Alain Budin
The great complexity of many human pathologies, such as cancer, diabetes, and neurodegenerative diseases, requires new tools for studies of biological processes on the whole organism level. The discovery of novel biocompatible reactions has tremendously ad ...
2014