Fragment informatics and computational fragment-based drug design: an overview and update.
about
De Novo Fragment Design for Drug Discovery and Chemical BiologyDiscovery and development of natural product oridonin-inspired anticancer agentsThe design of novel inhibitors for treating cancer by targeting CDC25B through disruption of CDC25B-CDK2/Cyclin A interaction using computational approaches.Fragment-based strategy for structural optimization in combination with 3D-QSAR.Harnessing allostery: a novel approach to drug discovery.Polypharmacology: in silico methods of ligand design and development.Future De Novo Drug Design.Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches.Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets.Considerations of Protein Subpockets in Fragment-Based Drug Design.Inhibition of HSP90 sensitizes a novel Raf/ERK dual inhibitor CY-9d in triple-negative breast cancer cells.Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening.#Nitrosocarbonyls 1: antiviral activity of N-(4-hydroxycyclohex-2-en-1-yl)quinoline-2-carboxamide against the influenza A virus H1N1.
P2860
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P2860
Fragment informatics and computational fragment-based drug design: an overview and update.
description
article científic
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article scientifique
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articol științific
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articolo scientifico
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artigo científico
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artigo científico
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artigo científico
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artikel ilmiah
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artikull shkencor
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artículo científico
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name
Fragment informatics and compu ...... esign: an overview and update.
@en
Fragment informatics and compu ...... esign: an overview and update.
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type
label
Fragment informatics and compu ...... esign: an overview and update.
@en
Fragment informatics and compu ...... esign: an overview and update.
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Fragment informatics and compu ...... esign: an overview and update.
@en
Fragment informatics and compu ...... esign: an overview and update.
@nl
P2860
P356
P1476
Fragment informatics and compu ...... esign: an overview and update.
@en
P2093
Chunquan Sheng
Wannian Zhang
P2860
P304
P356
10.1002/MED.21255
P577
2012-03-19T00:00:00Z