Towards design of drugs and delivery systems with the Martini coarse-grained model

Coarse-grained (CG) modelling with the Martini force field has come of age. By combining a variety of bead types and sizes with a new mapping approach, the newest version of the model is able to accurately simulate large biomolecular complexes at millisecond timescales. In this perspective, we discu...

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Hlavní autoři:	Lisbeth R. Kjølbye, Gilberto P. Pereira, Alessio Bartocci, Martina Pannuzzo, Simone Albani, Alessandro Marchetto, Brian Jiménez-García, Juliette Martin, Giulia Rossetti, Marco Cecchini, Sangwook Wu, Luca Monticelli, Paulo C. T. Souza
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Cambridge University Press 2022-01-01
Edice:	QRB Discovery
Témata:	coarse-grained models molecular dynamics Martini drug design drug delivery cryptic pockets transmembrane proteins protein-protein interactions soft delivery systems PROTACS lipid nanoparticles
On-line přístup:	https://www.cambridge.org/core/product/identifier/S2633289222000163/type/journal_article
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