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The design of hybrid peptide-solid interfaces for nanotechnological applications such as biomolecular nanoarrays requires a deep understanding of the basic mechanisms of peptide binding and assembly at solid substrates. Here we show by…

Mesoscale and Nanoscale Physics · Physics 2011-07-07 Michael Bachmann , Karsten Goede , Annette G. Beck-Sickinger , Marius Grundmann , Anders Irbäck , Wolfhard Janke

Accurate prediction of protein-ligand binding affinities is crucial for drug development. Recent advances in machine learning show promising results on this task. However, these methods typically rely heavily on labeled data, which can be…

Machine Learning · Computer Science 2024-06-13 Meng Liu , Saee Gopal Paliwal

Nanophotonics offers a promising range of applications spanning from the development of efficient solar cells to quantum communications and biosensing. However, the ability to efficiently couple fluorescent emitters with nanostructured…

Accurate prediction of drug-target binding affinity can accelerate drug discovery by prioritizing promising compounds before costly wet-lab screening. While deep learning has advanced this task, most models fuse ligand and protein…

Machine Learning · Computer Science 2025-09-26 Mohammadsaleh Refahi , Bahrad A. Sokhansanj , James R. Brown , Gail Rosen

Integrated photonics provides a route both to miniaturize quantum key distribution (QKD) devices and to enhance their performance. A key element for achieving discrete-variable QKD is a single-photon detector. It is highly desirable to…

We propose a novel approach to detect the binding between proteins making use of the anomalous diffraction of natively present heavy elements inside the molecule 3D structure. In particular, we suggest considering sulfur atoms contained in…

Accurate measurements of kinetic rate constants for interacting biomolecules is crucial for understanding the mechanisms underlying intracellular signalling pathways. The magnitude of binding rates plays a very important molecular…

Quantitative Methods · Quantitative Biology 2013-12-02 Hugo B. Brandao , Hussain Sangji , Elvis Pandzic , Susanne Bechstedt , Gary J. Brouhard , Paul W. Wiseman

Identification of high affinity drug-target interactions is a major research question in drug discovery. Proteins are generally represented by their structures or sequences. However, structures are available only for a small subset of…

Machine Learning · Computer Science 2020-12-22 Rıza Özçelik , Hakime Öztürk , Arzucan Özgür , Elif Ozkirimli

Mass-spectrometry technologies are widely used in the fields of ionomics and metabolomics to simultaneously profile at the genome scale intracellular concentrations of e.g. amino acids or elements. Short profiles of molecular or…

Molecular Networks · Quantitative Biology 2020-11-12 Jacopo Iacovacci , Alina Peluso , Timothy Ebbels , Markus Ralser , Robert Charles Glen

The prediction of protein-ligand binding affinity is of great significance for discovering lead compounds in drug research. Facing this challenging task, most existing prediction methods rely on the topological and/or spatial structure of…

Biomolecules · Quantitative Biology 2022-09-28 Yang Zhang , Gengmo Zhou , Zhewei Wei , Hongteng Xu

A broad range of scientific and industrial disciplines require precise optical measurements at very low light levels. Single-photon detectors combining high efficiency and high time resolution are pivotal in such experiments. By using…

Mass spectrometry has experienced a rapid development since its first application for protein analysis in the 1980s. While the most common use of mass spectrometry for protein analysis is identification and quantification workflows on…

Biomolecules · Quantitative Biology 2020-03-03 Gerhard Mayer

Mass spectrometry (MS) is used widely in biomolecular structural analysis and is particularly dominant in the study of proteins. Despite its considerable power, state-of-the-art protein MS frequently suffers from limited reliability of…

Proteins congregate into complexes to perform fundamental cellular functions. Phenotypic outcomes, in health and disease, are often mechanistically driven by the remodeling of protein complexes by protein coding mutations or cellular…

Mass spectrometry provides a high-throughput approach to identify proteins in biological samples. A key step in the analysis of mass spectrometry data is to identify the peptide sequence that, most probably, gave rise to each observed…

Applications · Statistics 2013-01-14 Qunhua Li , Jimmy K. Eng , Matthew Stephens

Scanning superconducting quantum interference device (SQUID) microscopy is a magnetic imaging technique combining high-field sensitivity with nanometer-scale spatial resolution. State-of-the-art SQUID-on-tip probes are now playing an…

Mesoscale and Nanoscale Physics · Physics 2022-03-03 M. Wyss , K. Bagani , D. Jetter , E. Marchiori , A. Vervelaki , B. Gross , J. Ridderbos , S. Gliga , C. Schönenberger , M. Poggio

Liquid Chromatography coupled to Mass Spectrometry (LC-MS) based methods are commonly used for high-throughput, quantitative measurements of the proteome (i.e. the set of all proteins in a sample at a given time). Targeted LC-MS produces…

Computer Vision and Pattern Recognition · Computer Science 2020-10-28 Leon L. Xu , Hannes L. Röst

The quantum nature of optical near-fields is interesting from a theoretical perspective and of importance for practical applications, such as high-resolution imaging, sensing and antenna-coupled quantum light sources. In this work we use a…

Applied Physics · Physics 2018-07-04 Karol Luszcz , Eric Bonvin , Lukas Novotny

Quantum light-matter interfaces (QLMIs) connecting stationary qubits to photons will enable optical networks for quantum communications, precise global time keeping, photon switching, and studies of fundamental physics. Rare-earth-ion (REI)…

Quantum Physics · Physics 2015-10-28 Tian Zhong , Jonathan M. Kindem , Evan Miyazono , Andrei Faraon

The mechanical properties of biological fluids can serve as early indicators of disease, offering valuable insights into complex physiological and pathological processes. However, the existing technologies can hardly support high throughput…

Optics · Physics 2025-09-18 Zhonghao Li , Zhihan Cai , Chaoyang Gong