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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

Nucleon density distributions and nucleus-nucleus interaction potentials for the reactions $^{16}$O+$^{40}$Ca, $^{16}$O+$^{56}$Fe and $^{16}$O+$^{90}$Zr have been calculated in the framework of the modified Thomas-Fermi method and…

Nuclear Theory · Physics 2023-01-12 V. A. Nesterov , O. I. Davydovska , V. Yu. Denisov

Conventionally defined free-energy landscape (FEL) exhibits unphysical dependence on the choice of reaction coordinates and hence lacks universal predictive ability. We here show that three physically plausible requirements uniquely…

Statistical Mechanics · Physics 2024-03-01 Takenobu Nakamura

New advances in nano sciences open the door for scientists to study biological processes on a microscopic molecule-by-molecule basis. Recent single-molecule biophysical experiments on enzyme systems, in particular, reveal that enzyme…

Applications · Statistics 2012-09-28 Chao Du , S. C. Kou

The expression for the higher temperature dependence of the mean squared displacement in proteins is obtained. The quantum multi-well model explains the dynamic transitions of the proteins and minimizes the amount of parameters to a single…

Biomolecules · Quantitative Biology 2024-05-14 Georgii Koniukov

The equilibrium free energy landscape of off-lattice model heteropolymers as a function of an internal coordinate, namely the end-to-end distance, is reconstructed from out-of-equilibrium steered molecular dynamics data. This task is…

Statistical Mechanics · Physics 2008-09-17 Stefano Luccioli , Alberto Imparato , Alessandro Torcini

Characterization of protein energy landscape and conformational ensembles is important for understanding mechanisms of protein folding and function. We studied ensembles of bound and unbound conformations of six proteins to explore their…

Biological Physics · Physics 2012-11-06 Anatoly M. Ruvinsky , Tatsiana Kirys , Alexander V. Tuzikov , Ilya A. Vakser

Cellular membranes are elastic lipid bilayers that contain a variety of proteins, including ion channels, receptors, and scaffolding proteins. These proteins are known to diffuse in the plane of the membrane and to influence the bending of…

Soft Condensed Matter · Physics 2020-10-28 Arijit Mahapatra , David Saintillan , Padmini Rangamani

The elastic network (EN) is a prime model that describes the long-time dynamics of biomolecules. However, the use of harmonic potentials renders this model insufficient for studying large conformational changes of proteins (e.g. stretching…

Biological Physics · Physics 2018-11-06 A. B. Poma , M. S. Li , P. E. Theodorakis

The simulation of transmission electron microscopy (TEM) images or diffraction patterns is often required to interpret their contrast and extract specimen features. This is especially true for high-resolution phase-contrast imaging of…

Materials Science · Physics 2021-03-30 Jacob Madsen , Timothy J. Pennycook , Toma Susi

The recent measurements of the elastic cross section by the TOTEM Collaboration together with the first estimations of the inelastic cross sections by other LHC detectors are used to test the simplest version of the geometrical model of the…

High Energy Physics - Phenomenology · Physics 2015-06-03 Tadeusz Wibig

Energy-based models (EBMs) are powerful probabilistic models, but suffer from intractable sampling and density evaluation due to the partition function. As a result, inference in EBMs relies on approximate sampling algorithms, leading to a…

Machine Learning · Computer Science 2020-01-10 Dieterich Lawson , George Tucker , Bo Dai , Rajesh Ranganath

The influence of the energy dependence of the free NN t-matrix on the optical potential of nucleon-nucleus elastic scattering is investigated within the context of a full-folding model based on the impulse approximation. The treatment of…

Nuclear Theory · Physics 2008-11-26 Ch. Elster , S. P. Weppner

Based on the relativistic mean field (RMF) model with Thomas-Fermi approximation, we investigate the elastic properties of neutron star matter. The elastic constants are estimated by introducing deformations on the nuclear pasta structures…

The experimental observables for the elastic reaction induced by protons on electrons are calculated in the Born approximation. Model independent expressions are derived for the differential cross section and polarization observables.…

Nuclear Theory · Physics 2011-09-06 G. I. Gakh , A. Dbeyssi , D. Marchand , E. Tomasi Gustafsson , V. V. Bytev

In the theoretical analysis of high-energy elastic nucleon scattering one starts commonly from the description based on the validity of optical theorem, which allows to derive the value of total cross section directly from the…

High Energy Physics - Phenomenology · Physics 2009-06-23 Milos V. Lokajicek , Vojtech Kundrat

The East Lansing Model is a global, uncertainty-quantified optical potential for neutron and proton projectiles, with a novel form for the neutron-proton asymmetry component, with the goal to improve extrapolations away from stability. Our…

Nuclear Theory · Physics 2026-04-02 K. Beyer , F. M. Nunes

Predicting protein stability changes induced by single-point mutations has been a persistent challenge over the years, attracting immense interest from numerous researchers. The ability to precisely predict protein thermostability is…

Biomolecules · Quantitative Biology 2023-12-08 Yijie Zhang , Zhangyang Gao , Cheng Tan , Stan Z. Li

The ability to monitor nutrient and other environmental conditions with high sensitivity is crucial for cell growth and survival. Sensory adaptation allows a cell to recover its sensitivity after a transient response to a shift in the…

Subcellular Processes · Quantitative Biology 2016-01-07 Shou-Wen Wang , Yueheng Lan , Lei-Han Tang

Under the influence of standardly used description of Coulomb-hadronic interference proposed by West and Yennie the protons have been interpreted as transparent objects; elastic events have been interpreted as more central than inelastic…

High Energy Physics - Phenomenology · Physics 2017-10-31 Jiri Prochazka , Vojtech Kundrat , Milos V. Lokajicek