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Comprehensive Structural and Functional Characterization of the Human Kinome by Protein Structure Modeling and Ligand Virtual Screening
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Alfred P. Sloan Jr. prize. Studies and prospectives of the protein kinase C family for cellular regulation
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Editorial: Drug Discovery Process for Kinease Inhibitors
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Docking of small ligands to low‐resolution and theoretically predicted receptor structures
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UCSF Chimera—A visualization system for exploratory research and analysis
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Assessment of programs for ligand binding affinity prediction
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Fast procedure for reconstruction of full‐atom protein models from reduced representations
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Q‐Dock: Low‐resolution flexible ligand docking with pocket‐specific threading restraints
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Q‐DockLHM: Low‐resolution refinement for ligand comparative modeling
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Stiffness and energy conservation in molecular dynamics: An improved integrator
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ICM—A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation
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Virtual screening for inhibitors of human aldose reductase
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Development and large scale benchmark testing of the PROSPECTOR_3 threading algorithm
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Scoring function for automated assessment of protein structure template quality
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Prediction of side‐chain conformations on protein surfaces
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Improved prediction of protein side‐chain conformations with SCWRL4
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Evaluation of template‐based models in CASP8 with standard measures
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Comparison of structure‐based and threading‐based approaches to protein functional annotation
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Rottlerin, a Novel Protein Kinase Inhibitor
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Extending the accuracy limits of prediction for side-chain conformations
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Therapeutic potential of protein kinase C inhibitors
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Computation of 3D queries for ROCS based virtual screens
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Staurosporine, a potent inhibitor of phospholipidCa++dependent protein kinase
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The potential of protein kinase C as A target for anticancer treatment
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Identification of a novel inhibitor of JAK2 tyrosine kinase by structure-based virtual screening
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Discovery of a novel protein kinase B inhibitor by structure-based virtual screening
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Virtual screening strategies in drug discovery
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Doing more than just the structure—structural genomics in kinase drug discovery
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RETRACTED: Kinase inhibitors and airway inflammation
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A decade of CASP: progress, bottlenecks and prognosis in protein structure prediction
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Comparative modeling for protein structure prediction
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Structural genomics: keeping up with expanding knowledge of the protein universe
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Rottlerin: an inappropriate and ineffective inhibitor of PKCδ
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Activation of protein kinase C subtypes α, γ, δ, ϵ, ζ, and η by tumor-promoting and nontumor-promoting agents
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Selective inhibition of protein kinase C isozymes by the indolocarbazole Gö 6976
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The bisindolylmaleimide GF 109203X is a potent and selective inhibitor of protein kinase C
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Differential inhibition of protein kinase C isozymes by UCN-01, a staurosporine analogue.
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In silico research in drug discovery
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Analogs of Staurosporine
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Protein kinases and protein phosphatases in prokaryotes: a genomic perspective
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Studies leading to the identification of ZD1839 (iressa™): an orally active, selective epidermal growth factor receptor tyrosine kinase inhibitor targeted to the treatment of cancer
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Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential
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The development and therapeutic potential of protein kinase inhibitors
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Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys
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Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
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Virtual Screening Using Protein−Ligand Docking: Avoiding Artificial Enrichment
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors
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The Blue Obelisk—Interoperability in Chemical Informatics
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Graph-Based Molecular Alignment (GMA)
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Evaluating Virtual Screening Methods: Good and Bad Metrics for the “Early Recognition” Problem
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Generating Conformer Ensembles Using a Multiobjective Genetic Algorithm
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Binding Site Similarity Analysis for the Functional Classification of the Protein Kinase Family
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Comparison of Ligand- and Structure-Based Virtual Screening on the DUD Data Set
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Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
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Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications
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Molecular Docking Screens Using Comparative Models of Proteins
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Successful Virtual Screening for Novel Inhibitors of Human Carbonic Anhydrase: Strategy and Experimental Confirmation
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Discovery of 5-[5-Fluoro-2-oxo-1,2- dihydroindol-(3 Z )-ylidenemethyl]-2,4- dimethyl-1 H -pyrrole-3-carboxylic Acid (2-Diethylaminoethyl)amide, a Novel Tyrosine Kinase Inhibitor Targeting Vascular Endothelial and Platelet-Derived Growth Factor Receptor Tyrosine Kinase
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Kinases, Homology Models, and High Throughput Docking
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Information Decay in Molecular Docking Screens against Holo, Apo, and Modeled Conformations of Enzymes
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Assessing Scoring Functions for Protein−Ligand Interactions
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Comparison of Automated Docking Programs as Virtual Screening Tools
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Molecular Recognition of Protein Kinase Binding Pockets for Design of Potent and Selective Kinase Inhibitors
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Benchmarking Sets for Molecular Docking
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Development and Experimental Validation of a Docking Strategy for the Generation of Kinase-Targeted Libraries
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Directed Discovery of Agents Targeting the Met Tyrosine Kinase Domain by Virtual Screening
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Structure-Based Drug Design of Novel Aurora Kinase A Inhibitors: Structural Basis for Potency and Specificity
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Identification of Death-Associated Protein Kinases Inhibitors Using Structure-Based Virtual Screening
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(S)-13-[(Dimethylamino)methyl]-10,11,14,15-tetrahydro-4,9:16,21-dimetheno- 1H,13H-dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecene-1,3(2H)-dione (LY333531) and Related Analogues: Isozyme Selective Inhibitors of Protein Kinase Cβ
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All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
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Protein Kinase C Inhibitors: Novel Spirosesquiterpene Aldehydes from a Marine Sponge Aka (=Siphonodictyon) coralliphagum
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Combination of molecular similarity measures using data fusion
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DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
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A small molecule–kinase interaction map for clinical kinase inhibitors
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A quantitative analysis of kinase inhibitor selectivity
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Effects of a selective inhibitor of the Abl tyrosine kinase on the growth of Bcr–Abl positive cells
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Docking and scoring in virtual screening for drug discovery: methods and applications
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High-throughput kinase profiling as a platform for drug discovery
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Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2
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Specificity and mechanism of action of some commonly used protein kinase inhibitors
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The extended protein kinase C superfamily
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Specificity and mechanism of action of some commonly used protein kinase inhibitors
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Automated structure prediction of weakly homologous proteins on a genomic scale
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A threading-based method (FINDSITE) for ligand-binding site prediction and functional annotation
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Indirubins Inhibit Glycogen Synthase Kinase-3β and CDK5/P25, Two Protein Kinases Involved in Abnormal Tau Phosphorylation in Alzheimer's Disease
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FINDSITE: a combined evolution/structure-based approach to protein function prediction
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Automated analysis of interatomic contacts in proteins.
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LIGAND: database of chemical compounds and reactions in biological pathways
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BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
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The potential for isoenzyme‐selective modulation of protein kinase C
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The eukaryotic protein kinase superfamily: kinase (catalytic) domain structure and classification 1
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An application of the molecular replacement technique in direct space to a known protein structure
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Side‐chain modeling with an optimized scoring function
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Novel protein kinase C‐β isoform selective inhibitor JTT‐010 ameliorates both hyper‐ and hypoalgesia in streptozotocin‐ induced diabetic rats
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Docking, virtual high throughput screening and in silico fragment‐based drug design
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A Kinase‐focused Compound Collection: Compilation and Screening Strategy
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The Protein Kinase Complement of the Human Genome
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Protein Kinase Inhibitors: Insights into Drug Design from Structure
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BAY 43-9006 Exhibits Broad Spectrum Oral Antitumor Activity and Targets the RAF/MEK/ERK Pathway and Receptor Tyrosine Kinases Involved in Tumor Progression and Angiogenesis
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AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
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PKC - A target for treating diabetic complications
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FINDSITELHM: A Threading-Based Approach to Ligand Homology Modeling
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Tertiary Structure Predictions on a Comprehensive Benchmark of Medium to Large Size Proteins
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Dual Kinase Inhibition in the Treatment of Breast Cancer: Initial Experience with the EGFR/ErbB-2 Inhibitor Lapatinib
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Virtual Screening for Kinase Targets
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High-Throughput Structural Biology in Drug Discovery: Protein Kinases
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Structure Selection for Protein Kinase Docking and Virtual Screening:Homology Models or Crystal Structures?
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Structure-Based Drug Design: Docking and Scoring
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Hierarchical Docking of Databases of Multiple Ligand Conformations
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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