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An approach that combines Self-Organizing maps, hierarchical clustering and network components is presented, aimed at comparing protein conformational ensembles obtained from multiple Molecular Dynamic simulations. As a first result the…

Computational Engineering, Finance, and Science · Computer Science 2013-10-01 Domenico Fraccalvieri , Laura Bonati , Fabio Stella

Biomolecules exhibit dynamic conformations critical to their functions, yet observing these processes at the single-molecule level under native conditions remains a formidable challenge. While surface immobilization has been widely used to…

Instrumentation and Detectors · Physics 2025-12-22 Funing Liu , Qitao Hu , Anton Sabantsev , Giovanni Di Muccio , Shuangshuang Zeng , Mauro Chinappi , Sebastian Deindl , Zhen Zhang

In numerous systems in biophysics and related fields, scientists measure (with very smart methods) individual molecules (e.g. biopolymers (proteins, DNA, RNA, etc), nano - crystals, ion channels), aiming at finding a model from the data.…

Subcellular Processes · Quantitative Biology 2013-06-12 Ophir Flomenbom

Optical microscopy provides rich spatio-temporal information characterizing in vivo molecular motion. However, effective forces and other parameters used to summarize molecular motion change over time in live cells due to latent state…

Quantitative Methods · Quantitative Biology 2015-11-06 Christopher P. Calderon , Kerry S. Bloom

Single-cell sequencing is revolutionizing biology by enabling detailed investigations of cell-state transitions. Many biological processes unfold along continuous trajectories, yet it remains challenging to extract smooth, low-dimensional…

Machine Learning · Statistics 2025-06-30 Rong Ma , Xi Li , Jingyuan Hu , Bin Yu

We describe a new generation of algorithms capable of mapping the structure and conformations of macromolecules and their complexes from large ensembles of heterogeneous snapshots, and demonstrate the feasibility of determining both…

Biological Physics · Physics 2014-04-30 P. Schwander , R. Fung , A. Ourmazd

Many recent studies of liquid-liquid phase separation in biology focus on phase separation as a dynamic control mechanism for cellular function, but it can also result in complex mesoscopic structures. We primarily investigate a model…

Soft Condensed Matter · Physics 2023-07-11 Sam Wilken , Aria Chaderjian , Omar A. Saleh

Capturing the physical organisation and dynamics of genomic regions is one of the major open challenges in biology. The kinetoplast DNA (kDNA) is a topologically complex genome, made by thousands of DNA (mini and maxi) circles interlinked…

Soft Condensed Matter · Physics 2025-04-16 Saminathan Ramakrishnan , Auro Varat Patnaik , Guglielmo Grillo , Luca Tubiana , Davide Michieletto

Changes in lattice structure across sub-regions of protein crystals are challenging to assess when relying on whole crystal measurements. Because of this difficulty, macromolecular structure determination from protein micro and nano…

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

The condensation of biomolecules into biomolecular condensates via liquid-liquid phase separation (LLPS) is a ubiquitous mechanism that drives cellular organization. To enable these functions, biomolecules have evolved to drive LLPS and…

Biomolecules · Quantitative Biology 2020-03-04 Erik W. Martin , Jesse B. Hopkins , Tanja Mittag

Single-molecule tracking is a powerful way to look at the dynamic organization of plasma membranes. However, there are some limitations to its use. For example, it was recently observed, using numerical simulation, that time-averaging…

Quantitative Methods · Quantitative Biology 2009-11-13 Nicolas Destainville , Laurence Salome

Single molecule time trajectories of biomolecules provide glimpses into complex folding landscapes that are difficult to visualize using conventional ensemble measurements. Recent experiments and theoretical analyses have highlighted…

Quantitative Methods · Quantitative Biology 2017-02-08 Wonseok Hwang , Il-Buem Lee , Seok-Cheol Hong , Changbong Hyeon

For over three decades, scanning probe microscopy (SPM) has been a key method for exploring material structures and functionalities at nanometer and often atomic scales in ambient, liquid, and vacuum environments. Historically, SPM…

The study of moving particles (e.g. molecules, virus, vesicles, organelles, or whole cells) is crucial to decipher a plethora of cellular mechanisms within physiological and pathological conditions. Powerful live-imaging approaches enable…

Numerical Analysis · Mathematics 2023-11-13 Eloina Corradi , Maurizio Tavelli , Marie-Laure Baudet , Walter Boscheri

Local interactions drive emergent collective behavior, which pervades biological and social complex systems. But uncovering the interactions that produce a desired behavior remains a core challenge. In this paper, we present EvoSOPS, an…

Neural and Evolutionary Computing · Computer Science 2024-06-11 Devendra Parkar , Kirtus G. Leyba , Raylene A. Faerber , Joshua J. Daymude

The nanoscale interaction between single emitters and plasmonic structures is traditionally studied by relying on near-perfect, deterministic, nanoscale-control. This approach is ultra-low throughput thus rendering systematic studies…

Chemical Physics · Physics 2019-04-29 Lisa Saemisch , Matz Liebel , Niek van Hulst

Nanoscale chromatin domains, variously termed nucleosome clutches, nanodomains, or packing domains, have emerged as fundamental architectural units of the mammalian genome during interphase and mitosis. Unlike cohesin-dependent loops or…

Biological Physics · Physics 2025-10-13 Vinayak Vinayak , Melike Lakadamyali , Vivek B Shenoy

This work exploits the zeptoliter sensing volume of electrolyte-filled nanopores to determine, simultaneously and in real time, the approximate shape, volume, charge, rotational diffusion coefficient, and dipole moment of individual…

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