The dorsal raphe nucleus (DRN) serotonergic (5-HT) system has been implicated in regulating sleep and motor control; however, its specific role remains controversial. In this study, we found that ...

Overview: Today's high-performance cloud simulators surpass previous limits in handling qubits and accurately replicate ...

Government-funded academic research on parallel computing, stream processing, real-time shading languages, and programmable ...

Barcelona researchers have created an algorithm for studying protein aggregation and mutating proteins from AlphaFold.

In a recent study published in Nature Communications, researchers created a memristor that uses a built-in oxygen gradient to ...

Researchers at The University of Manchester have built a machine-learning model that prevents simulated molecules from flying ...

ABSTRACT: Ab initio quantum chemistry aims to predict molecular properties solely from fundamental physical constants and system composition, without empirical parameterization. This review elucidates ...

We propose a simple and practical machine learning-based desktop solution for analyzing biologically relevant protein motions. We termed our technology reinforced molecular dynamics (rMD) combining MD ...

ABSTRACT: Nuclear quantum effects (NQEs) are essential for accurately modeling systems involving light atoms, particularly hydrogen bonding and proton transfer processes. This study investigates the ...

Entanglements and crosslinking jointly govern the mechanical performance of polyacrylamide (PAAm) hydrogels, yet their molecular roles remain poorly quantified. This study uses dissipative particle ...

This package implements the most probable path (MPP) algorithm, which is used to coarse-grain the number of discrete states of a Markov process. Based on a microstate trajectory, a Markov state model ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Trajectory surface-hopping (TSH) methods have become the most used approach in ...