Microtubules, the primary components of chromosome segregation machinery, are stabilized by longitudinal and lateral non-covalent bonds between tubulin subunits. However, thermodynamics these microtubule physico-chemical properties poorly understood. Here, we explore biomechanics polymers using multiscale computational modeling nanoindentations in silico a contiguous fragment. A close match simulated experimental force-deformation spectra enabled us to correlate with dynamic structural...

This paper develops a method for analysing the elasticity of travel demand to public transport fares. The methodology utilizes smartcard data collecting disaggregate full population about passengers' behaviour. study extends previous work by deriving specific fare elasticities distinct socioeconomic (e.g., car ownership and income) groups modes (metro, trains buses), considering directionality change. case involves policy introduced regional administration Stockholm County in January 2017,...

Significance Expressing the interaction energy as sum of correlation functions, fast Fourier transform (FFT) based methods speed calculation, enabling sampling billions putative protein–protein complex conformations. However, such acceleration is currently achieved only on a 3D subspace full 6D rotational/translational space, and remaining dimensions must be sampled using conventional slow calculations. Here we present an algorithm that employs FFT-based 5D rotational 1D translations are...

Theoretical exploration of fundamental biological processes involving the forced unraveling multimeric proteins, sliding motion in protein fibers and mechanical deformation biomolecular assemblies under physiological force loads is challenging even for distributed computing systems. Using a C(α)-based coarse-grained self organized polymer (SOP) model, we implemented Langevin simulations proteins on graphics processing units (SOP-GPU program). We assessed computational performance an...

Antibodies are key proteins produced by the immune system to target pathogen termed antigens via specific binding surface regions called epitopes. Given an antigen and sequence of antibody knowledge epitope is critical for discovery development based therapeutics. In this work, we present a computational protocol that uses template-based modeling docking predict residues. This implemented in three major steps. First, approach used build structures. We tested several options, including...

In recent years, the interplay between AI agents and blockchain has enabled secure scalable collaboration among multi-agent systems, promoting unprecedented levels of autonomy interoperability. play a vital role in facilitating complex decision making improving operational efficiency systems. This collaborative synergy is particularly evident how systems collectively tackle tasks to ensure seamless integration within these frameworks. While significant efforts have been made integrate...

Most survival models assume no autocorrelation between objects and time-independence. However, in many cases of disease spread, an object can potentially affect its neighbors, the feature may change over time. To address these issues, we implemented persistent homology, a topological data analysis (TDA) approach, to handle problems correlated longitudinal data. We applied this case first infection time COVID-19 each province Indonesia, using human mobility index as feature. The results show...

<title>Abstract</title> As industries increasingly encounter complex optimization challenges, the convergence of Artificial Intelligence (AI) and Quantum Computing offers a promising pathway to scalable, efficient solutions. This work proposes novel framework — including introduction Q GPT, purpose-built AI system designed solve problems using quantum resources that integrates Large Language Models (LLMs) with Optimization techniques bridge gap between classical paradigms in industrial...

The use of graphics processing units (GPUs) in simulation applications offers a significant speed gain as compared to computations on central (CPUs). Many methods require large number independent random variables generated at each step. We present two approaches for implementation generators (RNGs) GPU. In the one-RNG-per-thread approach, one RNG produces stream numbers thread execution, whereas one-RNG-for-all-threads method builds ability different threads communicate, thus, sharing seeds...

Traffic congestion remains a significant challenge in urban environments, necessitating innovative solutions for efficient traffic management. This paper explores the use of quantum annealing optimization, building on pioneering work Volkswagen and D-Wave. In 2017, collaborative team demonstrated potential to optimize flow by addressing complex 418-car Quadratic Unconstrained Binary Optimization problem. Using hybrid classical computing approach, they achieved notable improvements...

The mechanical properties of virus capsids correlate with local conformational dynamics in the capsid structure. They also reflect required stability needed to withstand high internal pressures generated upon genome loading and contribute success important events viral infectivity, such as maturation, uncoating receptor binding. biological nanoparticles are often determined from monitoring their dynamic deformations Atomic Force Microscopy nanoindentation experiments; but a comprehensive...

Краткосрочное прогнозирование потока трафика является однойиз основных задач моделирования транспортных систем, основное назначение которой — контроль дорожного движения, сообщение об авариях, избежание дорожных пробок за счет знания и последующего планирования транспортировки. Существует два типа подходов для решения этой задачи: математическое моделирование модель с использованием количественных данных трафика. Тем не менее большинство пространственно-временных моделейст радают от высокой...

This paper formulates a global eco-driving optimal control of bus transit with considering the platform delay to advise driving speed and minimizing volume pollutant vehicle emissions, such as NOx, HC, CO2. The traffic signal timings waiting passengers at stations can be obtained through communication between vehicles infrastructure (V2I). Hybrid dynamic model dwell time are proposed describe trajectories caused by get on off each station, respectively. Considering numbers uncertainty,...

Hydrodynamic interactions (HI) are incorporated into Langevin dynamics of the Cα -based protein model using Truncated Expansion approximation (TEA) to Rotne-Prager-Yamakawa diffusion tensor. Computational performance obtained GPU realization demonstrates model's capability for describing systems varying complexity (10(2) -10(5) residues), including biological particles (filaments, virus shells). Comparison numerical accuracy TEA versus exact description HI reveals similar results kinetics...

The rapid development of machine learning and deep has introduced increasingly complex optimization challenges that must be addressed. Indeed, training modern, advanced models become difficult to implement without leveraging multiple computing nodes in a distributed environment. Distributed is also fundamental emerging fields such as federated learning. Specifically, there need organize the process minimize time lost due communication. A widely used extensively researched technique mitigate...

In this short paper, we describe natural logit population games dynamics that explain equilibrium models of origin-destination matrix estimation and (stochastic) traffic assignment (Beckmann, Nesterov–de Palma). Composition the proposed allows to two-stages models.

In recent years, the localization of a vehicle has become an important task in field intelligent transportation systems (ITS). It is well known that sensor fusion helps to create more robust and accurate for autonomous vehicles. This paper presents framework combines trajectories built using global coordinates from Global Positioning System (GPS) relative Inertial Measurement Unit (IMU) cell phone produce vehicle's trajectory unknown environment. corrected by applying probabilistic Bayesian...

This paper presents a generalized second-order hydrodynamic traffic model. Its central piece is the expression for relative velocity of congestion (compression wave) propagation. We show that well-known models Payne–Whitham, Aw–Rascal and Zhang are all special cases featured model, their properties fully defined by how expressed. The proposed model verified with data from segment Interstate 580 freeway in California, USA, collected California DOT’s Performance Measurement System (PeMS).