Atomic-level simulations reveal rotational mechanism behind a critical biomolecular motor

The way a key cellular motor works at an atomic level has been uncovered by simulations conducted by RIKEN biophysicists.
Morning Overview on MSN

Manchester team builds ML models for stable molecular simulations at high heat

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

Finite-Difference Time-Domain Simulation of Wave Propagation in Space-Time-Varying Media: Derivation of schemes, extended framework, and illustrative examples

Abstract: We present a comprehensive tutorial on the finite-difference time-domain (FDTD) modeling of space, time, and space-time-varying media, building upon our previous review by offering a ...
Hosted on MSN

Python simulation of elastic collisions physics tutorial and examples

Python simulation of elastic collisions physics tutorial and examples Learn how physics and programming come together in this Python simulation of elastic collisions! In this tutorial, we explore the ...
Frontiers

Pharmacophore modeling: advances and pitfalls

Pharmacophore modeling has evolved from a static conceptual framework into a central computational tool in modern drug discovery. Recent advances include multi-pharmacophore strategies that better ...
Scientific Research Publishing

Sverdrup, H., Olafsdottir, A. H., Ragnarsdottir, K. V., Koca, D., & Lorenz, U. (2018). The WORLD7 Integrated System Dynamics Model: Examples of Results from Simulations. In

ABSTRACT: Prevailing economic theory is based on many hypotheses which have no physical science basis. The physical information missing from current practice currently undermines the successful ...
C&EN

Clustering and Analyzing Ensembles of Residue Interaction Networks from Molecular Dynamics Simulations

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Network methods and molecular dynamics (MD) simulations have become essential tools ...
The Robot Report

Boston Dynamics and TRI use large behavior models to train Atlas humanoid

To be useful, humanoid robots will need to be competent at many tasks, according to Boston Dynamics. They must be able to manipulate a diverse range of objects, from small, delicate objects to large, ...
IEEE

Physics-Aware Hybrid Estimator for Dynamic Power System Dataset Generation and Cyber Attack Simulation

Abstract: The increasing vulnerability of power systems to cyber-attacks has underscored the need for robust data-driven anomaly detection methods. However, existing datasets used to evaluate these ...
PNAS

Reaching the full potential of cryo-EM reconstructions with molecular dynamics simulations at 310 K: Actin filaments as an example

Functionally important properties of proteins are tightly linked to their conformations at physiological temperatures. While cryoelectron microscopy (cryo-EM) reconstructions and crystal structure of ...