Inverse Mixed-Solvent Molecular Dynamics for Visualization of the Residue Interaction Profile of Molecular Probes

To ensure efficiency in discovery and development, the application of computational technology is essential. Although virtual screening techniques are widely applied in the early stages of drug discovery research, the computational methods used in lead optimization to improve activity and reduce the...

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Detalles Bibliográficos
Autores principales: Yanagisawa, Keisuke, Yoshino, Ryunosuke, Kudo, Genki, Hirokawa, Takatsugu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9103889/
https://www.ncbi.nlm.nih.gov/pubmed/35563139
http://dx.doi.org/10.3390/ijms23094749

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9103889/
https://www.ncbi.nlm.nih.gov/pubmed/35563139
http://dx.doi.org/10.3390/ijms23094749

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