Related papers: Optimal evaluation of single-molecule force spectr…
The protein folding problem is stated and a list of properties that do not depend upon specific molecules is compiled and analyzed. The relationship of this analysis to future simulations is emphasized. The choice of power and time as…
Exclusion and shape restrictions play a central role in defining causal effects and interpreting estimates in potential outcomes models. To date, the testable implications of such restrictions have been studied on a case-by-case basis in a…
Thermodynamic bulk measurements of binding reactions critically rely on the validity of the law of mass action and the assumption of a dilute solution. Yet important biological systems such as allosteric ligand-receptor binding,…
Experiments on fracture surface morphologies offer increasing amounts of data that can be analyzed using methods of statistical physics. One finds scaling exponents associated with correlation and structure functions, indicating a rich…
A scattering model is developed for ultracold molecular collisions, which allows inelastic processes, chemical reactions, and complex formation to be treated in a unified way. All these scattering processes and various combinations of them…
A constitutive model based on the combination of damage mechanics and plasticity is developed to analyse concrete structures subjected to dynamic loading. The aim is to obtain a model, which requires input parameters with clear physical…
We investigate the problem of how to obtain the force field between atoms of an experimentally determined structure. We show how this problem can be efficiently solved, even at finite temperature, where the position of the atoms differs…
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and some properties of water-methanol liquid mixture. The TIP4P/2005 and SPC/E water models are combined with the united atom TraPPE and the…
Fiber bundles with statistically distributed thresholds for breakdown of individual fibers are interesting models of the static and dynamics of failures in materials under stress. They can be analyzed to an extent that is not possible for…
A two-dimensional lattice model with bond disorder is used to investigate the fracture behaviour under stress-controlled conditions. Although the cumulative energy of precursors does not diverge at the critical point, its derivative with…
Single molecule fluorescence tracking provides information at nm-scale and ms-temporal resolution about the dynamics and interaction of individual molecules in a biological environment. While the dynamic behavior of isolated molecules can…
Precision spectroscopy has long played a central role in testing the foundations of physics, from the early insights that led to the development of quantum mechanics to the validation of quantum electrodynamics and the determination of…
We revisit here some aspects of the interpretation of dynamic force spectroscopy experiments. The standard theory predicts a typical unbinding force $f^*$ linearly proportional to the logarithm of the loading rate $r$ when a single…
We describe a method to extract force and diffusion parameters from single trajectories of Brownian particles based on the principle of maximum likelihood. The analysis is well-suited for out-of-equilibrium trajectories, even when a limited…
Symmetry tests provide an important probe for the structure of elementary particle interactions and for the validity of the standard model. However, it is pointed out that in the interpretation of such experiments one must keep in mind that…
We introduce a novel computational approach for the investigation of complex correlated electron materials which makes it possible to evaluate interatomic forces and thereby determine atomic displacements and structural transformations…
The native structures of proteins, except for notable exceptions of intrinsically disordered proteins, in general take their most stable conformation in the physiological condition to maintain their structural framework so that their…
In recent years, various phase field models have been developed in variational methods to simulate the failure of brittle solids. However, there is a lack of objective evaluation of the existing results, and in particular, there are few…
A model of two coupled complex scalar fields is studied at finite temperature and under an external magnetic field. The results are obtained in the context of the nonperturbative method of the optimized perturbation theory and contrasted…
We show that in experimental atomic force microscopy studies of the lifetime distribution of mechanically stressed folded proteins the effects of externally applied fluctuations can not be distinguished from those of internally present…