Virtual screening strategies in drug discovery: a critical review.
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In silico discovery of aminoacyl-tRNA synthetase inhibitorsA graph-based approach to construct target-focused libraries for virtual screeningCANDO and the infinite drug discovery frontierA Multi-scale Computational Platform to Mechanistically Assess the Effect of Genetic Variation on Drug Responses in Human Erythrocyte MetabolismDiscovery of novel DUSP16 phosphatase inhibitors through virtual screening with homology modeled protein structure.COTI-2, a novel small molecule that is active against multiple human cancer cell lines in vitro and in vivo.HotSpot Wizard 2.0: automated design of site-specific mutations and smart libraries in protein engineering.Study of intra-inter species protein-protein interactions for potential drug targets identification and subsequent drug design for Escherichia coli O104:H4 C277-11.Benchmarking methods and data sets for ligand enrichment assessment in virtual screening.Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.Identification of novel compounds against an R294K substitution of influenza A (H7N9) virus using ensemble based drug virtual screeningBalancing novelty with confined chemical space in modern drug discovery.Structure-based virtual screening for drug discovery: principles, applications and recent advances.Comparative Analysis of Virtual Screening Approaches in the Search for Novel EphA2 Receptor Antagonists.Ligand-based chemoinformatic discovery of a novel small molecule inhibitor targeting CDC25 dual specificity phosphatases and displaying in vitro efficacy against melanoma cellsPer-residue energy decomposition pharmacophore model to enhance virtual screening in drug discovery: a study for identification of reverse transcriptase inhibitors as potential anti-HIV agentsStructure-based virtual screening of hypothetical inhibitors of the enzyme longiborneol synthase-a potential target to reduce Fusarium head blight disease.Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015.Identification of Binding Mode and Prospective Structural Features of Novel Nef Protein Inhibitors as Potential Anti-HIV Drugs.Discovery of new small molecules inhibiting 67 kDa laminin receptor interaction with laminin and cancer cell invasionStructure-Based Virtual Screening.Identification of New Human Malaria Parasite Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors by Pharmacophore and Structure-Based Virtual Screening.Knowledge-Based Methods To Train and Optimize Virtual Screening Ensembles.Virtual-screening targeting Human Immunodeficiency Virus type 1 integrase-lens epithelium-derived growth factor/p75 interaction for drug development.Role of computer-aided drug design in modern drug discovery.The potential role of in silico approaches to identify novel bioactive molecules from natural resources.Identification and Evaluation of Novel Drug Targets against the Human Fungal Pathogen Aspergillus fumigatus with Elaboration on the Possible Role of RNA-Binding Protein.C-SPADE: a web-tool for interactive analysis and visualization of drug screening experiments through compound-specific bioactivity dendrograms.Modern approaches to accelerate discovery of new antischistosomal drugs.Overview of the SAMPL5 host-guest challenge: Are we doing better?Molecular docking for drug discovery and development: a widely used approach but far from perfect.Ligand-based virtual screening under partial shape constraints.Targeting CYP51 for drug design by the contributions of molecular modeling.67 kDa laminin receptor (67LR) in normal and neoplastic hematopoietic cells: is its targeting a feasible approach?Improving scoring-docking-screening powers of protein-ligand scoring functions using random forest.In silico identification of promiscuous scaffolds as potential inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase for treatment of Falciparum malaria.Identification of potential drug targets by subtractive genome analysis of Escherichia coli O157:H7: an in silico approach.Evaluation of a novel virtual screening strategy using receptor decoy binding sites.Alkaloids as inhibitors of malate synthase from Paracoccidioides spp.: receptor-ligand interaction-based virtual screening and molecular docking studies, antifungal activity, and the adhesion process.Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations
P2860
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P2860
Virtual screening strategies in drug discovery: a critical review.
description
article científic
@ca
article scientifique
@fr
articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
@pt
artigo científico
@pt-br
artikel ilmiah
@id
artikull shkencor
@sq
artículo científico
@es
name
Virtual screening strategies in drug discovery: a critical review.
@en
type
label
Virtual screening strategies in drug discovery: a critical review.
@en
prefLabel
Virtual screening strategies in drug discovery: a critical review.
@en
P1476
Virtual screening strategies in drug discovery: a critical review
@en
P2093
C Di Giovanni
P304
P356
10.2174/09298673113209990001
P577
2013-01-01T00:00:00Z