What has virtual screening ever done for drug discovery?
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Structure-based virtual screening for drug discovery: a problem-centric reviewMolecular Shape and Medicinal Chemistry: A PerspectiveDesigning focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methodsAnalysing the Effect of Mutation on Protein Function and Discovering Potential Inhibitors of CDK4: Molecular Modelling and Dynamics StudiesGeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous ComputingBuilding a virtual ligand screening pipeline using free software: a surveyEnhanced ranking of PknB Inhibitors using data fusion methods.Prediction of potency of protease inhibitors using free energy simulations with polarizable quantum mechanics-based ligand charges and a hybrid water model.Frog2: Efficient 3D conformation ensemble generator for small compounds.Efficient hit-finding approaches for histone methyltransferases: the key parameters.Identification of novel antimalarial chemotypes via chemoinformatic compound selection methods for a high-throughput screening program against the novel malarial target, PfNDH2: increasing hit rate via virtual screening methods.How similar are those molecules after all? Use two descriptors and you will have three different answers.Balancing novelty with confined chemical space in modern drug discovery.Identification of a Selective G1-Phase Benzimidazolone Inhibitor by a Senescence-Targeted Virtual Screen Using Artificial Neural Networks.Mechanism of artemisinin resistance for malaria PfATP6 L263 mutations and discovering potential antimalarials: An integrated computational approach.A Comprehensive Structural Overview of p38α MAPK in Complex with Type I Inhibitors.Virtual Screening for Potential Inhibitors of CTX-M-15 Protein of Klebsiella pneumoniae.Virtual screening of potential inhibitor against FtsZ protein from Staphylococcus aureus.Discover binding pathways using the sliding binding-box docking approach: application to binding pathways of oseltamivir to avian influenza H5N1 neuraminidase.Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology.Docking and scoring: applications to drug discovery in the interactomics era.Classifiers and their Metrics Quantified.A Molecular Docking and Dynamics Approach to Screen Potent Inhibitors Against Fosfomycin Resistant Enzyme in Clinical Klebsiella pneumoniae.The Parasol Protocol for computational mutagenesis.Three-dimensional structure generators of drug-like compounds: DG-AMMOS, an open-source package.Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation.Computer-Aided Drug Design in Epigenetics.Inhibitors of DNA Methyltransferases From Natural Sources: A Computational Perspective
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P2860
What has virtual screening ever done for drug discovery?
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2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年学术文章
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What has virtual screening ever done for drug discovery?
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What has virtual screening ever done for drug discovery?
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What has virtual screening ever done for drug discovery?
@en
What has virtual screening ever done for drug discovery?
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What has virtual screening ever done for drug discovery?
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What has virtual screening ever done for drug discovery?
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P2860
P356
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What has virtual screening ever done for drug discovery?
@en
P2093
David E Clark
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P304
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10.1517/17460441.3.8.841
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P577
2008-08-01T00:00:00Z