MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics

The term clustering designates a comprehensive family of unsupervised learning methods allowing to group similar elements into sets called clusters. Geometrical clustering of molecular dynamics (MD) trajectories is a well-established analysis to gain insights into the conformational behavior of simu...

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Bibliographic Details

Published in:	Bioinformatics (Oxford, England) Vol. 38; no. 23; pp. 5191 - 5198
Main Authors:	González-Alemán, Roy, Platero-Rochart, Daniel, Rodríguez-Serradet, Alejandro, Hernández-Rodríguez, Erix W, Caballero, Julio, Leclerc, Fabrice, Montero-Cabrera, Luis
Format:	Journal Article
Language:	English
Published:	England Oxford University Press (OUP) 30.11.2022
Subjects:	Algorithms Biochemistry, Molecular Biology Biophysics Chemical Sciences Cluster Analysis Life Sciences Molecular Dynamics Simulation or physical chemistry Software Theoretical and
ISSN:	1367-4803, 1367-4811, 1367-4811
Online Access:	Get full text
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