Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices

[Image: see text] Molecular dynamics (MD) is a core methodology of molecular modeling and computational design for the study of the dynamics and temporal evolution of molecular systems. MD simulations have particularly benefited from the rapid increase of computational power that has characterized t...

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Detalles Bibliográficos
Autores principales: Rácz, Anita, Mihalovits, Levente M., Bajusz, Dávid, Héberger, Károly, Miranda-Quintana, Ramón Alain
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9326969/
https://www.ncbi.nlm.nih.gov/pubmed/35834424
http://dx.doi.org/10.1021/acs.jcim.2c00433

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9326969/
https://www.ncbi.nlm.nih.gov/pubmed/35834424
http://dx.doi.org/10.1021/acs.jcim.2c00433

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