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Subsea cables are critical infrastructure that are susceptible to damage from anchor drops, necessitating robust protection systems. This study evaluated the crashworthiness of a duct-type reinforced concrete protection ...

IntroductionLiver diseases continue to impose a major global health burden, and therapeutic progress is constrained by the limited availability of validated small-molecule modulators. TEAD4, a central Hippo-YAP effector,...

The emerging field of molecular cavity polaritons has stimulated a surge of experimental and theoretical activities and presents a unique opportunity to develop the many-body simulation methodology. This paper presents a...

The free surface resolution in current load calculations increases costs significantly when using computational fluid dynamics (CFD), even though the small Froude number of a dynamic positioning (DP) vessel suggests mini...

Introduction. Reliable and accurate state estimation plays a central role in mobile robotics, ensuring effective localization, navigation, and control in uncertain and dynamic environments. Traditional estimation methods...

Benzo[a]pyrene (BaP), a widespread environmental pollutant, has been increasingly implicated in the pathogenesis of chronic degenerative diseases. Environmental pollutants have recently been recognized as emerging risk f...

Abstract Objective Myelodysplastic syndromes (MDS) are associated with a high risk of progression to leukemia, highlighting the critical need to explore novel therapeutic agents. Based on network pharmacology predicti...

We present a magnetically actuated vocal fold–phantom phonation system capable of reproducing longitudinal tension modulation to mimic cricothyroid (CT) and thyroarytenoid (TA) muscle activation. We first formulat...

The productivity and linkages in the food web of the southern region of the west Antarctic Peninsula continental shelf were investigated using a multi-trophic level mass balance model. Data collected during the Southern ...

Outstanding questions about the RNA world hypothesis for the emergence of life on Earth concern the stability and self-replication of prebiotic aqueous RNA. Recent experimental work has suggested that solid substrates an...

Abstract Regarding the lane keeping system, path tracking accuracy and lateral stability at high speeds need to be taken into account especially for commercial vehicles due to the characteristics of larger mass, longer w...

The spinning metering pump serves as a critical component that delivers the spinning solution with high precision and directly governs the efficiency of wet spinning industrialization. Nevertheless, manual adjustment of ...

The configuration of the Northern Hemisphere ice sheets during the Last and Penultimate Glacial Maxima (LGM; PGM) influenced millennial-scale climate changes, as well as solid Earth and sea level changes that occurred du...

Abstract Graphene has superhigh thermal conductivity up to 5000 W/(m·K), extremely thin thickness, superhigh mechanical strength and nano-lamellar structure with low interlayer shear strength, making it possess great po...

Abstract Bimolecular nucleophilic substitution (SN2) and base-induced elimination (E2) reactions play crucial roles in chemistry. Here, we report a combined study of ion-molecule crossed-beam 3D velocity map imaging expe...

We present ab initio quantum-mechanical molecular-dynamics simulations of the liquid-metal--amorphous-semiconductor transition in Ge. Our simulations are based on (a) finite-temperature density-functional theory of the o...

A molecular dynamics simulation method which can generate configurations belonging to the canonical (T, V, N) ensemble or the constant temperature constant pressure (T, P, N) ensemble, is proposed. The physical system of...

Adequate initial configurations for molecular dynamics simulations consist of arrangements of molecules distributed in space in such a way to approximately represent the system's overall structure. In order that the simu...

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTUFF, a full periodic table force field for molecular mechanics and molecular dynamics simulationsA. K. Rappe, C. J. Casewit, K. S. Colwell, W. A. Goddard III, and W. M. SkiffCi...

Computer simulations using Cellular Automata (CA) have been applied with considerable success in diferent scientific areas, such as chemistry, biochemistry, economy, physics, etc. In this work we use CA in order to speci...

In this paper we present a new mixed-variables symplectic tree code for planetesimal dynamics, which allows to use a very large number of particles in numerical simulations of planet disk interaction. Furthermore, we dis...

We present ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local-density approximation at each molecular-dyna...

Abstract CHARMM ( C hemistry at HAR vard M acromolecular M echanics) is a highly flexible computer program which uses empirical energy functions to model macromolecular systems. The program can read or model build struct...

New protein parameters are reported for the all-atom empirical energy function in the CHARMM program. The parameter evaluation was based on a self-consistent approach designed to achieve a balance between the internal (b...