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PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands

[Image: see text] Photoswitchable (PSW) molecules offer an attractive opportunity for the optical control of biological processes. However, the successful design of such compounds remains a challenging multioptimization endeavor, resulting in several biological target classes still relatively poorly...

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Detalles Bibliográficos
Autores principales: Simon, Icaro A., Homan, Evert J., Wijtmans, Maikel, Sundström, Michael, Leurs, Rob, De Esch, Iwan J. P., Zarzycka, Barbara A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10647043/
https://www.ncbi.nlm.nih.gov/pubmed/37831965
http://dx.doi.org/10.1021/acs.jcim.3c01050