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DNA-interacting proteins have roles multiple processes, many operating as molecular machines which undergo dynamic metastable transitions to bring about their biological function. To fully understand this molecular heterogeneity, DNA and…

Biomolecules · Quantitative Biology 2015-04-15 Adam J. M. Wollman , Helen Miller , Zhaokun Zhou , Mark C. Leake

Molecular Dynamics (MD) simulations are essential for understanding the atomic-level behavior of molecular systems, giving insights into their transitions and interactions. However, classical MD techniques are limited by the trade-off…

Biomolecules · Quantitative Biology 2026-04-21 Ziyang Yu , Wenbing Huang , Yang Liu

Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…

Computational Physics · Physics 2019-09-27 Yihang Wang , Joao Marcelo Lamim Ribeiro , Pratyush Tiwary

Single-molecule force spectroscopy has proven to be a powerful tool for studying the kinetic behavior of biomolecules. Through application of an external force, conformational states with small or transient populations can be stabilized,…

Single-particle tracking (SPT) grants unprecedented insight into cellular function at the molecular scale [1]. Throughout the cell, the movement of single-molecules is generally heterogeneous and complex. Hence, there is an imperative to…

Quantitative Methods · Quantitative Biology 2015-06-24 Mohamed El Beheiry , Maxime Dahan , Jean-Baptiste Masson

The present level of development of molecular force field methods is assessed from the point of view of simulation-based engineering, outlining the immediate perspective for further development and highlighting the newly emerging discipline…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-05-22 Martin Horsch , Christoph Niethammer , Jadran Vrabec , Hans Hasse

A protein undergoes conformational dynamics with multiple time scales, which results in fluctuating enzyme activities. Recent studies in single molecule enzymology have observe this "age-old" dynamic disorder phenomenon directly. However,…

Biomolecules · Quantitative Biology 2009-11-10 Zhanghan Wu , Vlad Elgart , Hong Qian , Jianhua Xing

This review describes recent advances by the authors and others on the topic of incorporating experimental data into molecular simulations through maximum entropy methods. Methods which incorporate experimental data improve accuracy in…

Chemical Physics · Physics 2019-05-15 Dilnoza B. Amirkulova , Andrew D. White

At equilibrium, thermodynamic and kinetic information can be extracted from biomolecular energy landscapes by many techniques. However, while static, ensemble techniques yield thermodynamic data, often only dynamic, single-molecule…

Single polymer dynamics offers a powerful approach to study molecular-level interactions and dynamic microstructure in materials. Direct visualization of single chain dynamics has uncovered new ideas regarding the rheology and…

Soft Condensed Matter · Physics 2018-07-03 Charles M. Schroeder

Over the last decade, proteomic analysis of single cells by mass spectrometry transitioned from an uncertain possibility to a set of robust and rapidly advancing technologies supporting the accurate quantification of thousands of proteins.…

Quantitative Methods · Quantitative Biology 2026-04-14 Nikolai Slavov

Diffraction experiments have moved to ever heavier objects in recent years, now standing at the level of large molecules. Experiments in materials science on the other hand have come down to ever smaller sizes largely due to the success of…

Quantum Physics · Physics 2007-05-23 R. Stadler , W. A. Hofer

We review statistical-mechanical theories of single-molecule micromanipulation experiments on nucleic acids. First, models for describing polymer elasticity are introduced. We then review how these models are used to interpret…

Soft Condensed Matter · Physics 2007-05-23 S. Cocco , J. F. Marko , R. Monasson

The ongoing miniaturization in nanoscience and -technology challenges the sensitivity and selectivity of experimental analysis methods to the ultimate level of single atoms and molecules. A promising new approach, addressed here, focuses on…

Mesoscale and Nanoscale Physics · Physics 2014-03-28 Stefan Müllegger , Stefano Tebi , Amal K. Das , Wolfgang Schöfberger , Felix Faschinger , Reinhold Koch

Isolating single molecules in the solid state has allowed fundamental experiments in basic and applied sciences. When cooled down to liquid helium temperature, certain molecules show transition lines, that are tens of megahertz wide,…

Single molecule mechanical unfolding experiments are beginning to provide profiles of the complex energy landscape of biomolecules. In order to obtain reliable estimates of the energy landscape characteristics it is necessary to combine the…

Soft Condensed Matter · Physics 2009-11-11 Changbong Hyeon , D. Thirumalai

A method is presented that, when used in conjunction with single molecule experimental techniques, allows for the extraction of rates and mechanical properties of a biomolecule undergoing transitions between mechanically distinct states.…

Biomolecules · Quantitative Biology 2009-09-29 Darren E. Segall

A key to building functional devices on the basis of single molecule magnets in the framework of molecular electronics is the ability to deposit and study these molecules on a surface, because the structural, electronic and magnetic…

Mesoscale and Nanoscale Physics · Physics 2016-01-26 Judith Donner , Jan-Philipp Broschinski , Bastian Feldscher , Anja Stammler , Hartmut Bögge , Thorsten Glaser , Daniel Wegner

Model biomembrane systems play a crucial role in advancing biomedical research by providing simplified yet effective platforms for exploring complex biological mechanisms. These systems span a wide range of scales, from…

Soft Condensed Matter · Physics 2025-10-01 Ajit Seth , Sajal K. Ghosh , Veerendra K. Sharma

Despite decades of research, the ultimate goal of nanotechnology--top-down manipulation of individual atoms--has been directly achieved with only one technique: scanning probe microscopy. In this Review, we demonstrate that scanning…