BitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

BitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations

Published:2019-10-25 Issue:2 Volume:60 Page:444-448
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

González-Alemán Roy¹^ORCID,Hernández-Castillo David¹^ORCID,Rodríguez-Serradet Alejandro¹^ORCID,Caballero Julio²^ORCID,Hernández-Rodríguez Erix W.³^ORCID,Montero-Cabrera Luis¹^ORCID

Affiliation:

1. Laboratorio de Química Computacional y Teórica, Facultad de Química, Universidad de La Habana, Zapata y G, Vedado 10400, La Habana, Cuba

2. Centro de Bioinformática y Simulación Molecular, Facultad de Ingeniería, Universidad de Talca, 1 Poniente No. 1141, Casilla 721, Talca, Chile

3. Escuela de Química y Farmacia, Facultad de Medicina, Universidad Católica del Maule, 3460000 Talca, Chile

Funder

Departamento Administrativo de Ciencia, Tecnolog?a e Innovaci?n

Fondo Nacional de Desarrollo Cient?fico y Tecnol?gico

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b00828

Reference12 articles.

1. Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules

2. Encyclopedia of Machine Learning

3. Clustering Molecular Dynamics Trajectories: 1. Characterizing the Performance of Different Clustering Algorithms

4. Peptide Folding: When Simulation Meets Experiment

5. GROMACS: A message-passing parallel molecular dynamics implementation

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