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Many pressing medical challenges - such as diagnosing disease, enhancing directed stem cell differentiation, and classifying cancers - have long been hindered by limitations in our ability to quantify proteins in single cells.…

Genomics · Quantitative Biology 2018-08-06 Harrison Specht , Nikolai Slavov

Spatial transcriptomics has the potential to transform our understanding of RNA expression in tissues. Classical array-based technologies produce multiple-cell-scale measurements requiring deconvolution to recover single cell information.…

A fundamental goal of research in molecular biology is to understand protein structure. Protein crystallography is currently the most successful method for determining the three-dimensional (3D) conformation of a protein, yet it remains…

Artificial Intelligence · Computer Science 2014-11-17 L. Leherte , J. Glasgow , K. Baxter , E. Steeg , S. Fortier

The development of single-cell and spatial transcriptomics has revolutionized our capacity to investigate cellular properties, functions, and interactions in both cellular and spatial contexts. However, the analysis of single-cell and…

Genomics · Quantitative Biology 2024-12-09 Shuang Ge , Shuqing Sun , Huan Xu , Qiang Cheng , Zhixiang Ren

Spatial transcriptomics is a technology that captures gene expression levels at different spatial locations, widely used in tumor microenvironment analysis and molecular profiling of histopathology, providing valuable insights into…

Computer Vision and Pattern Recognition · Computer Science 2025-06-11 Junzhuo Liu , Markus Eckstein , Zhixiang Wang , Friedrich Feuerhake , Dorit Merhof

Antibody-based therapeutics-including antibody-drug conjugates (ADCs), bispecific antibodies, and novel formats-are reshaping oncology, yet key determinants of efficacy, safety, and manufacturability frequently emerge after conjugation and…

Soft Condensed Matter · Physics 2026-05-18 Alberto Ocana , Jorge R. Espinosa

Bayesian optimization is a natural candidate for the engineering of antibody therapeutic properties, which is often iterative and expensive. However, finding the optimal choice of surrogate model for optimization over the highly structured…

The organization of lipids in biological membranes is essential for cellular functions such as signal transduction and membrane trafficking. A major challenge is how to control lateral lipid composition in supported membranes which are…

Soft Condensed Matter · Physics 2016-08-31 Qing Liang , Yu-qiang Ma

Quantitative imaging biomarkers (QIB) are extracted from medical images in radiomics for a variety of purposes including noninvasive disease detection, cancer monitoring, and precision medicine. The existing methods for QIB extraction tend…

Methodology · Statistics 2021-03-23 ShengLi Tzeng , Jun Zhu , Amy Weisman , Tyler Bradshaw , Robert Jeraj

Spatial Transcriptomics (ST) profiles thousands of gene expression values at discrete spots with precise coordinates on tissue sections, preserving spatial context essential for clinical and pathological studies. With rising sequencing…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Yishun Zhu , Jiaxin Qi , Jian Wang , Yuhua Zheng , Jianqiang Huang

Many factors influence biomolecules binding, and its assessment constitutes an elusive challenge in computational structural biology. In this respect, the evaluation of shape complementarity at molecular interfaces is one of the main…

Crosslinking Mass Spectrometry (MS) can uncover protein-protein interactions and provide structural information on proteins in their native cellular environments. Despite its promise, the field remains hampered by inconsistent data formats,…

Histopathology images; microscopy images of stained tissue biopsies contain fundamental prognostic information that forms the foundation of pathological analysis and diagnostic medicine. However, diagnostics from histopathology images…

Computer Vision and Pattern Recognition · Computer Science 2019-10-30 Aïcha BenTaieb , Ghassan Hamarneh

The spatial structure of the cell is highly organized at all levels: from small complexes and assemblies, to local nano- and micro-clusters, to global, micrometer scales across and between cells. We suggest that this multiscale spatial cell…

Biomolecules · Quantitative Biology 2013-08-06 Ruth Nussinov

Despite recent breakthroughs in understanding how protein sequence relates to structure and function, considerably less attention has been paid to the general features of protein surfaces beyond those regions involved in binding and…

Biomolecules · Quantitative Biology 2024-07-26 John M. McBride , Aleksei Koshevarnikov , Marta Siek , Bartosz A. Grzybowski , Tsvi Tlusty

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

The spread of microbial infections is governed by the self-organization of bacteria on surfaces. Limitations of live imaging techniques make collective behaviors in clinically relevant systems challenging to quantify. Here, novel…

Biological Physics · Physics 2024-07-19 Vincent Hickl , Abid Khan , René M. Rossi , Bruno F. B. Silva , Katharina Maniura-Weber

Spatial omics has transformed our understanding of tissue architecture by preserving spatial context of gene expression patterns. Simultaneously, advances in imaging AI have enabled extraction of morphological features describing the…

Computer Vision and Pattern Recognition · Computer Science 2024-08-02 Eduard Chelebian , Christophe Avenel , Carolina Wählby

Mass spectrometry-based proteomics has become the tool of choice for identifying and quantifying the proteome of an organism. Though recent years have seen a tremendous improvement in instrument performance and the computational tools used,…

Predicting the binding free energy between antibodies and antigens is a key challenge in structure-aware biomolecular modeling, with direct implications for antibody design. Most existing methods either rely solely on sequence embeddings or…

Biomolecules · Quantitative Biology 2025-08-28 Ciyuan Yu , Hongzong Li , Jiahao Ma , Shiqin Tang , Ye-Fan Hu , Jian-Dong Huang