These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
146 related articles for article (PubMed ID: 25637964)
1. Topological obstructions in the way of data-driven collective variables. Hashemian B; Arroyo M J Chem Phys; 2015 Jan; 142(4):044102. PubMed ID: 25637964 [TBL] [Abstract][Full Text] [Related]
2. Modeling and enhanced sampling of molecular systems with smooth and nonlinear data-driven collective variables. Hashemian B; Millán D; Arroyo M J Chem Phys; 2013 Dec; 139(21):214101. PubMed ID: 24320358 [TBL] [Abstract][Full Text] [Related]
3. Collective variable discovery and enhanced sampling using autoencoders: Innovations in network architecture and error function design. Chen W; Tan AR; Ferguson AL J Chem Phys; 2018 Aug; 149(7):072312. PubMed ID: 30134681 [TBL] [Abstract][Full Text] [Related]
4. Charting molecular free-energy landscapes with an atlas of collective variables. Hashemian B; Millán D; Arroyo M J Chem Phys; 2016 Nov; 145(17):174109. PubMed ID: 27825245 [TBL] [Abstract][Full Text] [Related]
5. Molecular enhanced sampling with autoencoders: On-the-fly collective variable discovery and accelerated free energy landscape exploration. Chen W; Ferguson AL J Comput Chem; 2018 Sep; 39(25):2079-2102. PubMed ID: 30368832 [TBL] [Abstract][Full Text] [Related]
6. Comparative analysis of nonlinear dimensionality reduction techniques for breast MRI segmentation. Akhbardeh A; Jacobs MA Med Phys; 2012 Apr; 39(4):2275-89. PubMed ID: 22482648 [TBL] [Abstract][Full Text] [Related]
7. Nonlinear discovery of slow molecular modes using state-free reversible VAMPnets. Chen W; Sidky H; Ferguson AL J Chem Phys; 2019 Jun; 150(21):214114. PubMed ID: 31176319 [TBL] [Abstract][Full Text] [Related]
8. Chasing Collective Variables Using Autoencoders and Biased Trajectories. Belkacemi Z; Gkeka P; Lelièvre T; Stoltz G J Chem Theory Comput; 2022 Jan; 18(1):59-78. PubMed ID: 34965117 [TBL] [Abstract][Full Text] [Related]
9. String method in collective variables: minimum free energy paths and isocommittor surfaces. Maragliano L; Fischer A; Vanden-Eijnden E; Ciccotti G J Chem Phys; 2006 Jul; 125(2):24106. PubMed ID: 16848576 [TBL] [Abstract][Full Text] [Related]
10. Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling. Zheng L; Chen M; Yang W J Chem Phys; 2009 Jun; 130(23):234105. PubMed ID: 19548709 [TBL] [Abstract][Full Text] [Related]
11. Multivariate methods for the analysis of complex and big data in forensic sciences. Application to age estimation in living persons. Lefèvre T; Chariot P; Chauvin P Forensic Sci Int; 2016 Sep; 266():581.e1-581.e9. PubMed ID: 27264684 [TBL] [Abstract][Full Text] [Related]
12. Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering. Gil-Ley A; Bussi G J Chem Theory Comput; 2015 Mar; 11(3):1077-85. PubMed ID: 25838811 [TBL] [Abstract][Full Text] [Related]
13. An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions. Naleem N; Abreu CRA; Warmuz K; Tong M; Kirmizialtin S; Tuckerman ME J Chem Phys; 2023 Jul; 159(3):. PubMed ID: 37458344 [TBL] [Abstract][Full Text] [Related]
14. Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced Sampling. Yang YI; Parrinello M J Chem Theory Comput; 2018 Jun; 14(6):2889-2894. PubMed ID: 29715017 [TBL] [Abstract][Full Text] [Related]