Analyzing Multimodal Probability Measures with Autoencoders-Reference-Cited by-同舟云学术

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Analyzing Multimodal Probability Measures with Autoencoders

Published:2024-03-11 Issue:11 Volume:128 Page:2607-2631
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Lelièvre Tony¹²,Pigeon Thomas¹²³,Stoltz Gabriel¹²^ORCID,Zhang Wei⁴⁵

Affiliation:

1. CERMICS, École des Ponts ParisTech, 6-8 Avenue Blaise Pascal, 77455 Marne-la-Vallée, France

2. MATHERIALS Team-project, Inria Paris, 2 Rue Simone Iff, 75012 Paris, France

3. IFP Energies Nouvelles, Rond-Point de l’Echangeur de Solaize, BP 3, 69360 Solaize, France

4. Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany

5. Zuse Institute Berlin, Takustraße 7, 14195 Berlin, Germany

Funder

Deutsche Forschungsgemeinschaft

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c07075

Reference113 articles.

1. Molecular Dynamics Simulation for All

2. Molecular dynamics simulations and drug discovery

3. Using collective variables to drive molecular dynamics simulations

4. Escaping free-energy minima

5. Using metadynamics to explore complex free-energy landscapes

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