The structural variations of multidomain proteins with flexible parts mediate many biological processes, and a structure ensemble can be determined by selecting a weighted combination of representative structures from a simulated structure pool, producing the best fit to experimental constraints such as interatomic distance. In this study, a hybrid structure-based and physics-based atomistic force field with an efficient sampling strategy is adopted to simulate a model di-domain protein against experimental paramagnetic relaxation enhancement (PRE) data that correspond to distance constraints. The molecular dynamics simulations produce a wide range of conformations depicted on a protein energy landscape. Subsequently, a conformational ensemble recovered with low-energy structures and the minimum-size restraint is identified in good agreement with experimental PRE rates, and the result is also supported by chemical shift perturbations and small-angle X-ray scattering data. It is illustrated that the regularizations of energy and ensemble-size prevent an arbitrary interpretation of protein conformations. Moreover, energy is found to serve as a critical control to refine the structure pool and prevent data overfitting, because the absence of energy regularization exposes ensemble construction to the noise from high-energy structures and causes a more ambiguous representation of protein conformations. Finally, we perform structure-ensemble optimizations with a topology-based structure pool, to enhance the understanding on the ensemble results from different sources of pool candidates.

The size distribution of land plots is a result of land allocation processes in the past. In the absence of regulation this is a Markov process leading an equilibrium described by a probabilistic equation used commonly in the insurance and financial mathematics. We support this claim by analyzing the distribution of two plot types, garden and build-up areas, in the Czech Land Registry pointing out the coincidence with the distribution of prime number factors described by Dickman function in the first case.

Let <i>X, Y</i> be compact Hausdorff spaces and <i>E, F</i> be Banach spaces. A linear map <i>T: C(X, E) C(Y, F)</i> is separating if <i>Tf, Tg</i> have disjoint cozeroes whenever <i>f, g</i> have disjoint cozeroes. We prove that a biseparating linear bijection <i>T</i> (that is, <i>T</i> and <i>T</i>^-1 are separating) is a weighted composition operator <i>Tf = h f</i> o . Here, <i>h</i> is a function from <i>Y</i> into the set of invertible linear operators from <i>E</i> onto <i>F</i>, and , is a homeomorphism from <i>Y</i> onto <i>X</i>. We also show that <i>T</i> is bounded if and only if <i>h(y)</i> is a bounded operator from <i>E</i> onto <i>F</i> for all <i>y</i> in <i>Y</i>. In this case, <i>h</i> is continuous with respect to the strong operator topology.

The problem is concerned about how large (e.g. the Hausdorff dimension) is Whitney's critical set contained in a given fractal. For this, we prove that the Moran arc, an arc containing a Moran set, is a Whitney's critical set. The excellent open set condition is defined, when the condition holds, the associated self-similar set contains a Whitney's critical subset of full dimension. As its application, the Sierpinski gasket and Koch curve have Whitney's critical subset of full dimension. Finally, we provide a self-similar tree which never contains any Whitney's critical set.

It is observed that three-dimensional Gödel black holes can be promoted to exact string theory backgrounds through an orbifold of an hyperbolic asymmetric marginal deformation of the SL(2,R) WZW model. Tachyons are found in the spectrum of long strings. Uplifting these solutions in type IIB supergravity, extremal black holes are shown to preserve one supersymmetry in accordance with the BTZ limit. We also make connections with some recently discussed warped black hole solutions of topologically massive gravity, showing that they actually correspond to quotients of spacelike squashed AdS_3.