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Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization

Today computational chemistry is a consolidated tool in drug lead discovery endeavors. Due to methodological developments and to the enormous advance in computer hardware, methods based on quantum mechanics (QM) have gained great attention in the last 10 years, and calculations on biomacromolecules...

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Detalles Bibliográficos
Autores principales:	Cavasotto, Claudio N., Adler, Natalia S., Aucar, Maria G.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5986912/ https://www.ncbi.nlm.nih.gov/pubmed/29896472 http://dx.doi.org/10.3389/fchem.2018.00188

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