Docking, virtual high throughput screening and in silico fragment-based drug design
about
In silico discovery of aminoacyl-tRNA synthetase inhibitorsSwissParam: A fast force field generation tool for small organic moleculesClinical oxidative stress during leprosy multidrug therapy: impact of dapsone oxidationComprehensive structural and functional characterization of the human kinome by protein structure modeling and ligand virtual screening.Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.Dockomatic - automated ligand creation and docking.The design of novel inhibitors for treating cancer by targeting CDC25B through disruption of CDC25B-CDK2/Cyclin A interaction using computational approaches.Computational perspectives into plasmepsins structure-function relationship: implications to inhibitors design.Virtual target screening: validation using kinase inhibitors.Streamlining hit discovery and optimization with a yoctoliter scale DNA reactor.Optimization of molecular docking scores with support vector rank regression.In Silico Augmentation of the Drug Development Pipeline: Examples from the study of Acute Inflammation.A Discovery Funnel for Nucleic Acid Binding Drug CandidatesShaping the interaction landscape of bioactive molecules.Molecular recognition in the case of flexible targets.Fragment-based drug discovery as alternative strategy to the drug development for neglected diseases.Fragment informatics and computational fragment-based drug design: an overview and update.In silico fragment-based drug design.De novo design: balancing novelty and confined chemical space.High-throughput and in silico screenings in drug discovery.New design strategies for antidepressant drugs.High-throughput screening assays to identify small molecules preventing photoreceptor degeneration caused by the rhodopsin P23H mutation.A potent peptide as adiponectin receptor 1 agonist to against fibrosis.In-silico Leishmania target selectivity of antiparasitic terpenoids.Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape.Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology.Use of glass transitions in carbohydrate excipient design for lyophilized protein formulationsTwo- and three-body interatomic dispersion energy contributions to binding in molecules and solids.Structure-based design and biochemical evaluation of sulfanilamide derivatives as hepatitis B virus capsid assembly inhibitors.3D-QSAR and in-silico studies of natural products and related derivatives as monoamine oxidase inhibitors.
P2860
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P2860
Docking, virtual high throughput screening and in silico fragment-based drug design
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 21 January 2009
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
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vědecký článek
@cs
name
Docking, virtual high throughput screening and in silico fragment-based drug design
@en
Docking, virtual high throughput screening and in silico fragment-based drug design.
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type
label
Docking, virtual high throughput screening and in silico fragment-based drug design
@en
Docking, virtual high throughput screening and in silico fragment-based drug design.
@nl
prefLabel
Docking, virtual high throughput screening and in silico fragment-based drug design
@en
Docking, virtual high throughput screening and in silico fragment-based drug design.
@nl
P2860
P1476
Docking, virtual high throughput screening and in silico fragment-based drug design
@en
P2093
Olivier Michielin
Vincent Zoete
P2860
P304
P356
10.1111/J.1582-4934.2008.00665.X
P577
2009-01-21T00:00:00Z