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Normal mode analysis offers an efficient way of modeling the conformational flexibility of protein structures. Simple models defined by contact topology, known as elastic network models, have been used to model a variety of systems, but the…

Biomolecules · Quantitative Biology 2007-05-23 Dmitry A. Kondrashov , Adam W. Van Wynsberghe , Ryan M. Bannen , Qiang Cui , George N. Phillips

Conformational dynamics of biomolecules are of fundamental importance for their function. Single-molecule F\"orster Resonance Energy Transfer (smFRET) is a powerful approach to inform on the structure and the dynamics of labeled molecules.…

Single-molecule force spectroscopy has opened a new field of research in molecular biophysics and biochemistry. Pulling experiments on individual proteins permit us to monitor conformational transitions with high temporal resolution and…

Soft Condensed Matter · Physics 2021-11-23 M. Rico-Pasto , A. Zaltron , F. Ritort

Single-molecule biophysics has transformed our understanding of the fundamental molecular processes involved in living biological systems, but also of the fascinating physics of life. Far more exotic than a collection of exemplars of soft…

Biological Physics · Physics 2017-09-08 Helen Miller , Zhaokun Zhou , Jack Shepherd , Adam J. M. Wollman , Mark C. Leake

Cellular differentiation is governed by gene regulatory networks, the high-dimensional stochastic biochemical systems that determine the transcriptional landscape and mediate cellular responses to signals and perturbations. Although…

Molecular Networks · Quantitative Biology 2026-04-29 Suryanarayana Maddu , Victor Chardès , Michael J. Shelley

A general theoretical framework is developed using free energy functional methods to understand the effects of heterogeneity in the folding of a well-designed protein. Native energetic heterogeneity arising from non-uniformity in native…

Disordered Systems and Neural Networks · Physics 2007-05-23 Steven S. Plotkin , Jose N. Onuchic

Most single-molecule studies derive the kinetic rates of native, intermediate, and unfolded states from equilibrium hopping experiments. Here, we apply Kramers kinetic diffusive model to derive the force-dependent kinetic rates of…

Soft Condensed Matter · Physics 2022-04-13 Marc Rico-Pasto , Anna Alemany , Felix Ritort

Biological functions stem from coordinated interactions among proteins, nucleic acids and small molecules. Mass spectrometry technologies for reliable, high throughput single-cell proteomics will add a new modality to genomics and enable…

Genomics · Quantitative Biology 2023-11-07 Andrew Leduc , Hannah Harens , Nikolai Slavov

In spite of decades of research, much remains to be discovered about folding: the detailed structure of the initial (unfolded) state, vestigial folding instructions remaining only in the unfolded state, the interaction of the molecule with…

Biological Physics · Physics 2018-11-26 Walter A. Simmons

Single-molecule pulling experiments on unstructured proteins linked to neurodegenerative diseases have measured rupture forces comparable to those for stable folded proteins. To investigate the structural mechanisms of this unexpected force…

Biomolecules · Quantitative Biology 2013-06-19 S. Æ. Jónsson , S. Mitternacht , A. Irbäck

Single-molecule force spectroscopy experiments, as well as a number of other physical systems, are governed by thermally activated transitions out of a metastable state under the action of a steadily increasing external force. The main…

Soft Condensed Matter · Physics 2009-11-13 Sebastian Getfert , Mykhaylo Evstigneev , Peter Reimann

Investigation of inhomogeneities has wide applications in different areas of mechanics including the study of composite materials. Here, we analytically study an arbitrarily-shaped isotropic inhomogeneity embedded in a finite-sized…

Soft Condensed Matter · Physics 2018-11-20 Ehsan Ban

Monte Carlo simulations of a simple lattice model of protein folding show two distinct regimes depending on the chain length. The first regime well describes the folding of small protein sequences and its kinetic counterpart appears to be…

Soft Condensed Matter · Physics 2007-05-23 P. F. N. Faisca , R. C. Ball

In the context of functional data analysis, we propose new two sample tests for homogeneity. Based on some well-known depth measures, we construct four different statistics in order to measure distance between the two samples. A simulation…

Methodology · Statistics 2015-07-08 Ramón Flores , Rosa Lillo , Juan Romo

Protein sequences serve as a natural record of the evolutionary constraints that shape their functional structures. We show that it is possible to use only sequence information to go beyond predicting native structures and global stability…

Biomolecules · Quantitative Biology 2025-07-02 Ezequiel A. Galpern , Ernesto A. Roman , Diego U. Ferreiro

Natural protein sequences contain a record of their history. A common constraint in a given protein family is the ability to fold to specific structures, and it has been shown possible to infer the main native ensemble by analyzing…

Biomolecules · Quantitative Biology 2017-03-16 Rocío Espada , R. Gonzalo Parra , Thierry Mora , Aleksandra M. Walczak , Diego U. Ferreiro

We use optical tweezers to directly measure the intermolecular forces acting on a single polymer imposed by surrounding entangled polymers (115 kbp DNA, 1 mg/ml). A tube-like confining field was measured in accord with the key assumption of…

Soft Condensed Matter · Physics 2009-11-13 Rae M. Robertson , Douglas E. Smith

Assessing the structural properties of large proteins is important to gain an understanding of their function in, e.g., biological systems or biomedical applications. We propose a method to examine the mechanical properties of proteins…

We employ heterodyne interferometry to investigate the effect of a single organic molecule on the phase of a propagating laser beam. We report on the first phase-contrast images of individual molecules and demonstrate a single-molecule…

Quantum Physics · Physics 2015-05-27 M. Pototschnig , Y. Chassagneux , J. Hwang , G. Zumofen , A. Renn , V. Sandoghdar

Understanding the protein folding process is an outstanding issue in biophysics; recent developments in molecular dynamics simulation have provided insights into this phenomenon. However, the large freedom of atomic motion hinders the…

Computational Physics · Physics 2020-06-18 Takashi Ichinomiya , Ippei Obayashi , Yasuaki Hiraoka