Small-molecule ligand docking into comparative models with Rosetta.
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Analysis of nidogen-1/laminin γ1 interaction by cross-linking, mass spectrometry, and computational modeling reveals multiple binding modesTowards engineering hormone-binding globulins as drug delivery agentsTargeting the SH3 domain of human osteoclast-stimulating factor with rationally designed peptoid inhibitors.Structure-Based Identification, Characterization, and Disruption of Human Securin-Binding SH3 Domains in Lung Cancer.Effects of Non-Natural Amino Acid Incorporation into the Enzyme Core Region on Enzyme Structure and Function.Rosetta and the Design of Ligand Binding Sites.Fast de novo discovery of low-energy protein loop conformations.Unique residues in the ATP gated human P2X7 receptor define a novel allosteric binding pocket for the selective antagonist AZ10606120.A novel Ste20-related proline/alanine-rich kinase (SPAK)-independent pathway involving calcium-binding protein 39 (Cab39) and serine threonine kinase with no lysine member 4 (WNK4) in the activation of Na-K-Cl cotransporters.The molecular evolution of the Qo motifComputational and biochemical docking of the irreversible cocaine analog RTI 82 directly demonstrates ligand positioning in the dopamine transporter central substrate-binding site.Genetic analysis of the localization of APOBEC3F to human immunodeficiency virus type 1 virion cores.Challenges, applications, and recent advances of protein-ligand docking in structure-based drug design.Rosetta comparative modeling for library design: Engineering alternative inducer specificity in a transcription factor.Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences.Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand.NRGsuite: a PyMOL plugin to perform docking simulations in real time using FlexAIDInvestigation into the Mode of Phosphate Activation in the 4-Hydroxy-4-Methyl-2-Oxoglutarate/4-Carboxy-4-Hydroxy-2-Oxoadipate Aldolase from Pseudomonas putida F1.Protocols for Molecular Modeling with Rosetta3 and RosettaScriptsImprovements, trends, and new ideas in molecular docking: 2012-2013 in review.The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design.Stereoselective inhibition of serotonin transporters by antimalarial compounds.Lysine conjugation properties in human IgGs studied by integrating high-resolution native mass spectrometry and bottom-up proteomics.ABS-Scan: In silico alanine scanning mutagenesis for binding site residues in protein-ligand complex.Computational design of ligand-binding membrane receptors with high selectivity.Web-accessible molecular modeling with Rosetta: The Rosetta Online Server that Includes Everyone (ROSIE).Sampling and energy evaluation challenges in ligand binding protein design.Programmed coherent coupling in a synthetic DNA-based excitonic circuit.Impact of phenylalanines outside the dimer interface on phosphotriesterase stability and function.Integrating linear optimization with structural modeling to increase HIV neutralization breadth.Carbamazepine-Mediated Adverse Drug Reactions: CBZ-10,11-epoxide but Not Carbamazepine Induces the Alteration of Peptides Presented by HLA-B∗15:02Critical assessment of approaches for molecular docking to elucidate associations of HLA alleles with adverse drug reactions
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Q28544860-4DA159AA-7BE7-433D-B15E-8684301A4A7DQ28545213-1444F61B-6CE4-452D-A9F9-46B7FF60D0E5Q30008890-7FBE77CD-1A72-444C-B2E7-A0F60DBDEF71Q30008909-8A360035-3FE5-4A4E-AB62-60536F179C9BQ30278633-74554D60-AC05-419F-B13E-1C7E4F6E8C49Q30387092-4707A8E1-85A7-4E14-A7A5-27EA36EC0CA8Q30400754-93B98E11-4600-4458-8F22-502C148D514CQ30850022-2D86A6D8-7C60-457E-B026-463E3B6FBB45Q33792980-FC09041B-4E55-4505-9EE4-5F68E952137FQ34007342-1C58BED1-557A-4812-A15C-D26988AB574BQ34396818-0C8A4DA1-3EC8-43DC-995F-1B4DF68D76D8Q35115703-B3045F2F-1730-4376-BAF5-3ABCECE49943Q35206344-74562485-681C-4DA1-B1EF-FD1A6714ACFEQ35631597-548F0AFA-9643-4149-8938-5D46A1588AF5Q35683261-97FD7DF8-68E5-41B3-AA69-B3F1718D7185Q35710721-52791D19-032D-468D-B028-BAF26B329440Q35739302-ADB6E7FB-DBB3-43F7-AE43-13A0EE0B4186Q36163775-68821312-0A01-44CC-A38D-5AD85596AA04Q37223553-CDAEE56F-1C6D-4E00-A026-CBC4755DBCABQ38390892-43E840B0-EC42-4627-B5A9-FDEA08CDE53EQ38826829-DBE90904-79FF-4633-AB76-95B8FAB6D1D9Q41364370-41596C24-5B80-4550-9F04-B3E1A761C541Q41495558-7A043C3E-5718-4774-8413-FCE72C30834FQ41816939-D23A0666-2304-4997-900E-99E0693CE3E5Q42603368-06161D8C-04FE-4DB1-B75C-70D4F1A09B4EQ46208618-4641D39A-2E22-4CFD-8CD4-E9BE5C2BF033Q47160805-59009695-D0E5-41AC-AEA1-023849A9452EQ47309090-6799DC37-3D42-48D0-ADAB-A675C320A772Q47325900-AB615509-906C-42F2-9AF2-1FC5A897E5B3Q49924966-128BD2D3-FD5E-48D1-8B7C-C778B87949C8Q57300409-23142FA8-5E4F-45D5-8582-8BA461CFC6A4Q58774245-43ABE585-5320-4FB4-A878-3FC9D3FFFCDF
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Small-molecule ligand docking into comparative models with Rosetta.
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article científic
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article scientifique
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articol științific
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articolo scientifico
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artigo científico
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artigo científico
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artigo científico
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artikel ilmiah
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artikull shkencor
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artículo científico
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Small-molecule ligand docking into comparative models with Rosetta.
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type
label
Small-molecule ligand docking into comparative models with Rosetta.
@en
prefLabel
Small-molecule ligand docking into comparative models with Rosetta.
@en
P2093
P2860
P50
P356
P1433
P1476
Small-molecule ligand docking into comparative models with Rosetta.
@en
P2093
Elizabeth D Nguyen
Jonathan H Sheehan
Jordan R Willis
Samuel L Deluca
Stephanie H Deluca
Steven A Combs
P2860
P2888
P304
P356
10.1038/NPROT.2013.074
P577
2013-06-06T00:00:00Z
P5875
P6179
1049299556