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WHat's New

The Blog

News and updates by our team.

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Release of ACEMD 4.0.0: Advancing Machine Learning for Molecular Dynamics Simulations

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Top-Down Machine Learning of Coarse-Grained Protein Force Fields

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Machine learning coarse-grained potentials of protein thermodynamics

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NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics

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Exploring the Alchemical Transfer Method

Simplifying Protein-Ligand Binding Predictions

SPICE Dataset Released

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SPICE Dataset Released

A new DFT dataset for small molecules and more

Workshop “Methods In Molecular Simulations And Machine Learning”

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Workshop “Methods In Molecular Simulations And Machine Learning” 14-16/07/22 Barcelona

Learn more on the future of molecular simulations

New Tutorial: Using PlayMolecule

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New Tutorial: Using PlayMolecule® AceProfiler To Identify Homologs In The Protein Data Bank

Easily navigate the Protein Data Bank.

Pocket Detection, Docking And Molecular Dynamics For Binding Mode Prediction

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Pocket Detection, Docking And Molecular Dynamics For Binding Mode Prediction.

Case study of our software

CrypticScout Redesigned To Improve Fragment Screening Analysis

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CrypticScout Redesigned To Improve Fragment Screening Analysis

Fragment screening