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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Vydané v:	Bioinformatics (Oxford, England) Ročník 38; číslo 23; s. 5191 - 5198
Hlavní autori:	González-Alemán, Roy, Platero-Rochart, Daniel, Rodríguez-Serradet, Alejandro, Hernández-Rodríguez, Erix W, Caballero, Julio, Leclerc, Fabrice, Montero-Cabrera, Luis
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	England Oxford University Press (OUP) 30.11.2022
Predmet:	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
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