Latest Articles for Molecular Dynamics

Research enhances models for deep eutectic mixtures with unique properties.

A look at AlphaFold2's predictions and potential misinterpretations in protein structures.

This study examines frequency-dependent viscosity effects on molecular movement in liquids.

Discover the unique characteristics and importance of α-synuclein in brain health.

A novel approach improves atomic structure modeling for materials science.

Introducing Flow Matching for Reaction Coordinates to simplify biomolecular analysis.

New DFXM model reveals dislocation structures and their impact on material behavior.

A study on ionisation in hydrogen using classical molecular dynamics simulations.

A computer model improves the study of schreibersite, a mineral linked to early life.

This article discusses the integration of VR and molecular dynamics for research advancements.

Study reveals efficient data sharing in ML models for battery technology.

Research reveals new findings on the toxicity of PFAS and their health effects.

New technique significantly accelerates molecular dynamics simulations by optimizing reset conditions.

IDRs are crucial for protein function and stability.

A new method simplifies feature selection in molecular simulations using graph neural networks.

Study reveals intriguing dynamics of neon dimers when exposed to laser energy.

Active noise enhances generative models for better data creation and accuracy.

Scientists improve monoclonal antibodies with new modeling techniques for better treatments.

Exploring the complexities of measuring entropy in liquid sodium.

CAMP simplifies material simulations using Cartesian coordinates for better accuracy and efficiency.

Scientists develop stronger, lighter materials using graphene and carbon nitride.

Scientists use data and simulations to speed up material discovery.

A look into the tools used to study atomic behavior.

A new tool to simplify access to quantum data for scientists.

Discover a new method enhancing molecular dynamics simulations with improved efficiency.

Discover how molecular structure impacts charge movement in organic semiconductors.

EFA improves predictions by efficiently capturing long-range effects in machine learning.

How laser heating changes glass's infrared light emission.

The JUMP method enhances molecular simulations, making them faster and more accurate.