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Nomidis, S. K.

Publications and source records attributed to Nomidis, S. K..

3 recordsLinked to original sources

Obstacle bypassing and intrinsically asymmetric loop extrusion in the segment-capture model of Structural Maintenance of Chromosomes complexes

Structural Maintenance of Chromosomes (SMC) complexes are large protein assemblies that play a central role in chromosomal organization across all domains of life by acting as molecular motors that extrude DNA loops. Although the molecular architecture of SMCs has been characterized in considerable detail, their mechanistic mode of action remains actively debated. One proposed mechanism is the segment-capture model, in which SMC complexes undergo an asymmetric conformational change upon ATP binding and hydrolysis, effectively "pumping" short DNA segments through the SMC ring and thereby enlarging loops. While this model accounts for several experimentally observed features of loop extrusion, it has been questioned in light of experiments showing that SMC complexes can traverse large nanoparticle-sized obstacles on DNA. Moreover, recent experimental advances have provided new insights that extend beyond the original formulation of the model. Here we show that, contrary to previous criticisms, the segment-capture model can naturally account for key features of recent experiments, including the bypass of large obstacles when the SMC hinge acts as a bypass gate. Furthermore, we outline a set of targeted experiments designed to critically test the models predictions, providing a clear path toward resolving outstanding questions about the mechanistic basis of loop extrusion.

biophysics↗

Twist-bend coupling and the statistical mechanics of DNA: perturbation theory and beyond

The simplest model of DNA mechanics describes the double helix as a continuous rod with twist and bend elasticity. Recent work has discussed the relevance of a little-studied coupling G between twisting and bending, known to arise from the groove asymmetry of the DNA double helix. Here, the effect of G on the statistical mechanics of long DNA molecules subject to applied forces and torques is investigated. We present a perturbative calculation of the effective torsional stiffness Ceff for small twist-bend coupling. We find that the \"bare\" G is \"screened\" by thermal fluctuations, in the sense that the low-force, long-molecule effective free energy is that of a model with G = 0, but with long-wavelength bending and twisting rigidities that are shifted by G-dependent amounts. Using results for torsional and bending rigidities for freely-fluctuating DNA, we show how our perturbative results can be extended to a nonperturbative regime. These results are in excellent agreement with numerical calculations for Monte Carlo \"triad\" and molecular dynamics \"oxDNA\" models, characterized by different degrees of coarse-graining, validating the perturbative and non-perturbative analyses. While our theory is in generally-good quantitative agreement with experiment, the predicted torsional stiffness does systematically deviate from experimental data, suggesting that there are as-yet-uncharacterized aspects of DNA twisting-stretching mechanics relevant to low-force, long-molecule mechanical response, which are not captured by widely-used coarse-grained models.

biophysics↗

Bend-Induced Twist Waves and the Structure of Nucleosomal DNA

Recent work indicates that twist-bend coupling plays an important role in DNA micromechanics. Here we show that this coupling induces standing twist waves in bent DNA, and we provide an analytical solution of the minimum-energy shape of a bent double-helical molecule. This solution is in excellent agreement with both coarse-grained simulations of DNA minicircles and experimental structural data for nucleosomal DNA, which is bent and wrapped around histone proteins in a superhelical conformation. Our analysis shows that the observed twist oscillation in nucleosomal DNA, so far attributed to the interaction with the histone proteins, is an intrinsic feature of free bent DNA, and should be observable in other protein-DNA complexes.

biophysics↗