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Protein–protein docking predictions for the CAPRI experiment

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

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Improved recognition of native-like protein structures using a combination of sequence-dependent and sequence-independent features of proteins
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Effective energy function for proteins in solution
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Distantly related sequences in the alpha‐ and beta‐subunits of ATP synthase, myosin, kinases and other ATP‐requiring enzymes and a common nucleotide binding fold.
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Bayesian statistical analysis of protein side‐chain rotamer preferences
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Modeling of protein interactions in genomes
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Polar and nonpolar atomic environments in the protein core: Implications for folding and binding
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An Evolutionary Trace Method Defines Binding Surfaces Common to Protein Families
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An Orientation-dependent Hydrogen Bonding Potential Improves Prediction of Specificity and Structure for Proteins and Protein–Protein Complexes
inferredcites →https://doi.org/10.1016/s0969-2126(98)00044-6openalex-snapshot
Morphology of protein–protein interfaces
inferredcites →https://doi.org/10.1016/s1074-7613(00)80646-9openalex-snapshot
Three-Dimensional Structure of the Complex between a T Cell Receptor β Chain and the Superantigen Staphylococcal Enterotoxin B
inferredcites →https://doi.org/10.1073/pnas.202485799openalex-snapshot
A simple physical model for binding energy hot spots in protein–protein complexes
inferredcites →https://doi.org/10.1073/pnas.97.19.10383openalex-snapshot
Native protein sequences are close to optimal for their structures
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R: A Language for Data Analysis and Graphics
inferredcites →https://doi.org/10.1093/emboj/20.15.3917openalex-snapshot
X‐ray structure of HPr kinase: a bacterial protein kinase with a P‐loop nucleotide‐binding domain
inferredcites →https://doi.org/10.1093/emboj/20.7.1485openalex-snapshot
Atomic structure of the major capsid protein of rotavirus: implications for the architecture of the virion
inferredcites →https://doi.org/10.1110/ps.0215902openalex-snapshot
MAMMOTH (Matching molecular models obtained from theory): An automated method for model comparison
inferredcites →https://doi.org/10.1146/annurev.bi.56.070187.002053openalex-snapshot
THE STRUCTURE AND FUNCTION OF THE HEMAGGLUTININ MEMBRANE GLYCOPROTEIN OF INFLUENZA VIRUS
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THE STRUCTURAL BASIS OF T CELL ACTIVATION BY SUPERANTIGENS

What points at this work

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

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De NovoStructure Prediction: Methods and Applications
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Recent Advances inDe NovoProtein Design
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Recent Advances inDe NovoProtein Design
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Protein–protein docking dealing with the unknown
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CAPRI rounds 3–5 reveal promising successes and future challenges for RosettaDock
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Progress in protein–protein docking: Atomic resolution predictions in the CAPRI experiment using RosettaDock with an improved treatment of side‐chain flexibility
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Biologically enhanced sampling geometric docking and backbone flexibility treatment with multiconformational superposition
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ROSETTALIGAND: Protein–small molecule docking with full side‐chain flexibility
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Structure determination of symmetric homo‐oligomers by a complete search of symmetry configuration space, using NMR restraints and van der Waals packing
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A simple reference state makes a significant improvement in near‐native selections from structurally refined docking decoys
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Modeling the structure of mAb 14B7 bound to the anthrax protective antigen
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Incorporating biochemical information and backbone flexibility in RosettaDock for CAPRI rounds 6–12
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Toward high‐resolution homology modeling of antibody Fv regions and application to antibody–antigen docking
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Antibodies as a model system for comparative model refinement
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A generalized approach to sampling backbone conformations with RosettaDock for CAPRI rounds 13–19
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How different from random are docking predictions when ranked by scoring functions?
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In silico modeling of pH‐optimum of protein–protein binding
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Monte Carlo replica-exchange based ensemble docking of protein conformations
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Docking With Rosetta and Deep Learning Approaches in CAPRI Rounds 47–55
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Self-Association of Arrestin Family Members
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The interface of protein-protein complexes: Analysis of contacts and prediction of interactions
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Computational Immunogenetics
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Protein-protein interaction network prediction using stochastic learning automata induced differential evolution
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Identification of α-helix 4 (α4) of Rab11a as a novel Rab11-binding domain (RBD): Interaction of Rab11a with the Prostacyclin Receptor
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Novel protein–protein interactions between Entamoeba histolytica d-phosphoglycerate dehydrogenase and phosphoserine aminotransferase
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Complex-type-dependent scoring functions in protein–protein docking
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Study on the molecular mechanism of inhibiting HIV-1 integrase by EBR28 peptide via molecular modeling approach
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New Compstatin Variants through Two De Novo Protein Design Frameworks
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Discovery of Entry Inhibitors for HIV-1 via a New De Novo Protein Design Framework
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A Flexible Docking Scheme Efficiently Captures the Energetics of Glycan-Cyanovirin Binding
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Computational design of protein–protein interactions
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Scratching the Surface: Resurfacing Proteins to Endow New Properties and Function
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Conformer Selection and Induced Fit in Flexible Backbone Protein–Protein Docking Using Computational and NMR Ensembles
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Reconstitution and Engineering of Apoptotic Protein Interactions on the Bacterial Cell Surface
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Rapid Structural Characterization of Human Antibody–Antigen Complexes through Experimentally Validated Computational Docking
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The crystal structure of the dimeric colicin M immunity protein displays a 3D domain swap
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Neuronal porosome – The secretory portal at the nerve terminal: Its structure–function, composition, and reconstitution
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Exploring the modulation of phosphorylation and SUMOylation-dependent NPR1 conformational switching on immune regulators TGA3 and WRKY70 through molecular simulation
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A structural perspective on protein–protein interactions
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High-resolution protein–protein docking
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Computational modeling of protein assemblies
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Structural Characterization of Assemblies from Overall Shape and Subcomplex Compositions
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Structural Model of the mAb 806-EGFR Complex Using Computational Docking followed by Computational and Experimental Mutagenesis
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Structure Prediction of Domain Insertion Proteins from Structures of Individual Domains
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A Model for the Solution Structure of the Rod Arrestin Tetramer
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Performance and Its Limits in Rigid Body Protein-Protein Docking
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B-cell epitope mapping for the design of vaccines and effective diagnostics
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An Orientation-dependent Hydrogen Bonding Potential Improves Prediction of Specificity and Structure for Proteins and Protein–Protein Complexes
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Protein–Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations
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Potential Functions for Hydrogen Bonds in Protein Structure Prediction and Design
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A structural perspective on protein?protein interactions
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Predicting Protein Dimer Structures Using MELD × MD
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Microsecond Molecular Dynamics Simulations of Influenza Neuraminidase Suggest a Mechanism for the Increased Virulence of Stalk-Deletion Mutants
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A Computational Assay that Explores the Hemagglutinin/Neuraminidase Functional Balance Reveals the Neuraminidase Secondary Site as a Novel Anti-Influenza Target
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GPC Receptors and Not Ligands Decide the Binding Mode in Neuropeptide Y Multireceptor/Multiligand System
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Structure-Based Design of Peptides against G3BP with Cytotoxicity on Tumor Cells
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Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors
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Computational approaches to protein-protein interaction
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Brief encounters bolster contacts
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GalaxyRefineComplex: Refinement of protein-protein complex model structures driven by interface repacking
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Coarse-grain Protein Models
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Udock, the interactive docking entertainment system
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Molecular docking and molecular dynamics simulation studies on the adsorption/desorption behavior of bone morphogenetic protein-7 on the β-tricalcium phosphate surface
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Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations
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Selective reciprocity in antimicrobial activity versus cytotoxicity of hBD-2 and crotamine
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Solution X-ray scattering combined with computational modeling reveals multiple conformations of covalently bound ubiquitin on PCNA
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FastContact: rapid estimate of contact and binding free energies
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Efficient flexible backbone protein–protein docking for challenging targets
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The Plant Proteome Folding Project: Structure and Positive Selection in Plant Protein Families
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Phospho-Pivot Modeling Predicts Specific Interactions of Protein Phosphatase-1 with a Phospho-Inhibitor Protein CPI-17
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A new hydrogen-bonding potential for the design of protein-RNA interactions predicts specific contacts and discriminates decoys
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The RosettaDock server for local protein-protein docking
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Refinement of protein cores and protein–peptide interfaces using a potential scaling approach
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Computer-aided antibody design
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Novel class of OTU deubiquitinases regulate substrate ubiquitination upon Legionella infection
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Prediction of the Binding Mode between the Small Peptide Inhibitor EBR28 with Integrase through Molecular Modeling Methods
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An accurate, residue‐level, pair potential of mean force for folding and binding based on the distance‐scaled, ideal‐gas reference state
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New algorithms and an in silico benchmark for computational enzyme design
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A knowledge‐based potential function predicts the specificity and relative binding energy of RNA‐binding proteins
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Molecular Dynamics in Drug Design: New Generations of Compstatin Analogs
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The neuronal porosome complex in health and disease
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DARS-RNP and QUASI-RNP: New statistical potentials for protein-RNA docking
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Complete configuration space analysis for structure determination of symmetric homo-oligomers by NMR.
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The Trigger Factor Chaperone Encapsulates and Stabilizes Partial Folds of Substrate Proteins
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Critical Structural and Functional Roles for the N-Terminal Insertion Sequence in Surfactant Protein B Analogs
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De Novo Peptide Design and Experimental Validation of Histone Methyltransferase Inhibitors
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Application of Enhanced Sampling Monte Carlo Methods for High-Resolution Protein-Protein Docking in Rosetta
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Porosome in Cystic Fibrosis
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Epitope Mapping
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Computational Methods for De novo Protein Design and its Applications to the Human Immunodeficiency Virus 1, Purine Nucleoside Phosphorylase, Ubiquitin Specific Protease 7, and Histone Demethylases
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Progress Towards Recombinant Anti-Infective Antibodies
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Computational Docking of Antibody-Antigen Complexes, Opportunities and Pitfalls Illustrated by Influenza Hemagglutinin
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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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Unbound Protein-Protein Docking Selections by the DFIRE-based Statistical Pair Potential
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Information Gain based Methodology to Predict the Effect of Conformational Change on the Existence of f10 Epitope on the Surface of Human H5N1 Virus Hemagglutinin Protein
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Anti-Cancer Potential of Salaciaoblonga Wall Compounds by Targeting 5HZN and 1Q1A Receptor: A Comprehensive Molecular Docking and Simulation Approaches
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Bacterial OTU deubiquitinases regulate substrate ubiquitination upon Legionella infection
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