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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Front Chem
Prif Awduron: Cavasotto, Claudio N., Adler, Natalia S., Aucar, Maria G.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Frontiers Media S.A. 2018
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC5986912/
https://ncbi.nlm.nih.gov/pubmed/29896472
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2018.00188
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