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Comparing Ligand Interactions with Multiple Receptors via Serial Docking

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Computer graphics in real‐time docking with energy calculation and minimization

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FlexE: efficient molecular docking considering protein structure variations

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Crystal structure of a novel Mid-gut procarboxypeptidase from the cotton pest Helicoverpa armigera

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Ligand-supported Homology Modelling of Protein Binding-sites using Knowledge-based Potentials

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Human Procarboxypeptidase B: Three-dimensional Structure and Implications for Thrombin-activatable Fibrinolysis Inhibitor (TAFI)

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Crystal Structures of Uninhibited Factor VIIa Link its Cofactor and Substrate-assisted Activation to Specific Interactions

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A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening

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National Cancer Institute Drug Information System 3D Database

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Virtual Screening for SARS-CoV Protease Based on KZ7088 Pharmacophore Points

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Docking and Database Screening Reveal New Classes ofPlasmodiumfalciparumDihydrofolate Reductase Inhibitors

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Synthesis and Biological Evaluation of the 1,5-Diarylpyrazole Class of Cyclooxygenase-2 Inhibitors: Identification of 4-[5-(4-Methylphenyl)-3- (trifluoromethyl)-1 H -pyrazol-1-yl]benzenesulfonamide (SC-58635, Celecoxib)

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Ligand-receptor docking with the Mining Minima optimizer

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Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents

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Erratum: A transcriptional partner for MAD proteins in TGF-β signalling

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Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor

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Identification of small molecule inhibitors of anthrax lethal factor

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The three‐dimensional structure of human procarboxypeptidase A2. Deciphering the basis of the inhibition, activation and intrinsic activity of the zymogen

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The Protein Data Bank

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Crystal structure of an in vivo HIV‐1 protease mutant in complex with saquinavir: Insights into the mechanisms of drug resistance

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Crystal structure of carboxypeptidase T from Thermoactinomyces vulgaris

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Regulation of MHC Class I Transport by the Molecular Chaperone, Calnexin (p88, IP90)

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What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Virtual Ligand Screening Against Comparative Models of Proteins

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Virtual Screening on Homology Models

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Virtual Ligand Screening Against Comparative Protein Structure Models

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Modeling of peroxide activation in artemisinin derivatives by serial docking

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De Novo Design

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Comparative Modeling of Drug Target Proteins☆

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A structural comparative approach to identifying novel antimalarial inhibitors

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Modelling three-dimensional protein structures for applications in drug design

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Screening Drug-Like Compounds by Docking to Homology Models: A Systematic Study

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Identification of the Schistosoma mansoni Molecular Target for the Antimalarial Drug Artemether

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Are Homology Models Sufficiently Good for Free-Energy Simulations?

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Analysis of HIV Wild-Type and Mutant Structures via in Silico Docking against Diverse Ligand Libraries

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Kinase-Targeted Library Design through the Application of the PharmPrint Methodology

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Molecular Docking Screens Using Comparative Models of Proteins

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Predicting Substrates by Docking High-Energy Intermediates to Enzyme Structures

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Exploring Experimental Sources of Multiple Protein Conformations in Structure-Based Drug Design

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Rapid Computational Identification of the Targets of Protein Kinase Inhibitors

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Receptor Flexibility in de Novo Ligand Design and Docking

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In Silico-Guided Target Identification of a Scaffold-Focused Library: 1,3,5-Triazepan-2,6-diones as Novel Phospholipase A2 Inhibitors

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Progressive Docking: A Hybrid QSAR/Docking Approach for Accelerating In Silico High Throughput Screening

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In silico structural elucidation of RNA-dependent RNA polymerase towards the identification of potential Crimean-Congo Hemorrhagic Fever Virus inhibitors

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Computational methods and software in computer-aided combinatorial library design

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Modeling of flexible side chains for protein-ligand docking

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Structural Elucidation of Rift Valley Fever Virus L Protein towards the Discovery of Its Potential Inhibitors

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Molecular docking-based virtual screening: Challenges in hits identification for Anti-SARS-Cov-2 activity

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Life's Solutions are Complex Fluids. A Mathematical Challenge

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