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Claim

Mapping Conformational and Kinetic Landscapes of 14-3-3σ/α-Synuclein Assembly via Variational Autoencoders and Markov State Models

descriptionPublicationkeyboard_double_arrow_right Article , Journal 12 Nov 2025 English Publisher:American Chemical Society (ACS)Journal:Journal of Chemical Information and Modeling, volume 65, pages 12,846-12,860 (issn: 1549-9596, eissn: 1549-960X, Copyright policy )
Authors: Gourav Chakraborty; Niladri Patra;

doi: 10.1021/acs.jcim.5c02323 , 10.5281/zenodo.17455070 , 10.5281/zenodo.17144548 , 10.5281/zenodo.17144547

pmid: 41225715

Mapping Conformational and Kinetic Landscapes of 14-3-3σ/α-Synuclein Assembly via Variational Autoencoders and Markov State Models

Abstract

The folder contains all the files needed for performing the entire VAE model, along with Markov State Model (MSM) construction. Additionally, the initial .top and .rst files for the bound and unbound states of both proteins have been uploaded for reference. A file named README.dat explains in detail all the subdirectories along with their respective file hierarchy.

Related Organizations
Keywords

Kinetics, 14-3-3 Proteins, Protein Conformation, alpha-Synuclein, Humans, Autoencoder, Molecular Dynamics Simulation, Markov Chains, Protein Binding

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green