Fast conformational clustering of extensive molecular dynamics simulation data

11 January 2023

Papers citing "Fast conformational clustering of extensive molecular dynamics simulation data"

6 / 6 papers shown

Title
Variational embedding of protein folding simulations using gaussian mixture variational autoencoders Mahdi Ghorbani Samarjeet Prasad Jeffery B. Klauda B. Brooks DRL 16 17 0 27 Aug 2021
Interpretable Embeddings From Molecular Simulations Using Gaussian Mixture Variational Autoencoders Yasemin Bozkurt Varolgunes T. Bereau J. F. Rudzinski DRL 47 43 0 22 Dec 2019
High-resolution Markov state models for the dynamics of Trp-cage miniprotein constructed over slow folding modes identified by state-free reversible VAMPnets Hythem Sidky Wei Chen Andrew L. Ferguson 25 54 0 12 Jun 2019
UMAP: Uniform Manifold Approximation and Projection for Dimension Reduction Leland McInnes John Healy James Melville 146 9,312 0 09 Feb 2018
Variational Encoding of Complex Dynamics Carlos X. Hernández H. Wayment-Steele Mohammad M. Sultan B. Husic Vijay S. Pande AI4CE 49 138 0 23 Nov 2017
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics C. Wehmeyer Frank Noé AI4CE BDL 148 358 0 30 Oct 2017