Cases
We've highlighted some of the most notable examples from user interviews, simulation cases, and research papers. Browse by category to explore the details that interest you.
Featured Cases
Featured Customer Stories
It was impossible to predict based on past experience or intuition.
Creating new combinations and encounters
Atomis, Inc. Chemicals (Porous materials/MOF/PCP)
I feel that being able to prioritize candidates before proceeding to experiments has been a significant advantage. In the screening stage, it's more important to be able to compare the relative strengths and weaknesses of candidates than to have perfect absolute matches. In that sense, we've been able to make decisions about our search at an earlier stage.
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Featured Calculation Examples
High-Accuracy, High-Speed Binding Energy Evaluation of Cyclin-Dependent Kinase 2 Inhibitors
Bio and Pharma
概要 創薬研究において、リード最適化段階でのタンパク質-リガンド結合親和性の正確な予測は、化合物選択の成否を左右します。しかし、量子化学計算による高精度な相互作用計算は1構造あたり数十時間を要し、大規模な化合物ライブラリへの適用は現実
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Featured Published Papers
Whole-Enzyme Reactive Free-Energy Simulations with a Universal Machine Learning Interatomic Potential: Catalytic Mechanism and Mutational Effects of PETase
Papers using Matlantis
バイオ・医薬
Catalysts
Universal machine learning interatomic potentials (uMLIPs) have emerged as powerful tools for atomistic simulations that achieve quantum mechanical accuracy at significantly reduced computational cost. Yet, their direct application to complex enzymatic reactions remains challenging owing to the immense size of solvated enzyme systems and the scarcity of transition-state structures in training data. In this study, we demonstrate that PFP (PreFerred Potential), a pretrained uMLIP across 96 elements in nature, simulates the complete hydrolytic cycle of poly…
Search for cases by category
List of customer cases
We will introduce the background, challenges, usage methods, and results obtained by companies that have introduced Matlantis. Through real voices from the field, we will provide you with hints that will be useful when considering introducing Matlantis.
List of calculation examples
We will introduce specific simulation examples using Matlantis for various material systems. You can see how high speed and high accuracy calculations are achieved.
List of published papers
This site mainly features papers published by Matlantis users about research using Matlantis, as well as papers about machine learning potential and PFP, which are core technologies of Matlantis.
How to cite
For information on how to cite Matlantis papers and case studies, please see the link below.
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