DynaDock: A new molecular dynamics-based algorithm for protein-peptide docking including receptor flexibility.
about
A unified conformational selection and induced fit approach to protein-peptide dockingPaFlexPepDock: parallel ab-initio docking of peptides onto their receptors with full flexibility based on RosettaDomain-mediated protein interaction prediction: From genome to network.Fully Blind Docking at the Atomic Level for Protein-Peptide Complex Structure PredictionModeling disordered protein interactions from biophysical principlesStructural and dynamic determinants of protein-peptide recognition.Can self-inhibitory peptides be derived from the interfaces of globular protein-protein interactions?DynaDom: structure-based prediction of T cell receptor inter-domain and T cell receptor-peptide-MHC (class I) association angles.Rosetta FlexPepDock ab-initio: simultaneous folding, docking and refinement of peptides onto their receptors.Break CDK2/Cyclin E1 interface allosterically with small peptides.Predicting binding within disordered protein regions to structurally characterised peptide-binding domains.Rosetta FlexPepDock web server--high resolution modeling of peptide-protein interactionsDINC: a new AutoDock-based protocol for docking large ligands.Modeling of the OX1R-orexin-A complex suggests two alternative binding modes.MOLS 2.0: software package for peptide modeling and protein-ligand docking.Protein-peptide molecular docking with large-scale conformational changes: the p53-MDM2 interaction.Recent work in the development and application of protein-peptide docking.Latest developments in molecular docking: 2010-2011 in review.Understanding the challenges of protein flexibility in drug design.Octopus: a platform for the virtual high-throughput screening of a pool of compounds against a set of molecular targets.Editor's Highlight: Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS): A Web-Based Tool for Addressing the Challenges of Cross-Species Extrapolation of Chemical Toxicity.BiPPred: Combined sequence- and structure-based prediction of peptide binding to the Hsp70 chaperone BiP.DockTope: a Web-based tool for automated pMHC-I modelling.Docking small peptides remains a great challenge: an assessment using AutoDock Vina.Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction-Field Method for the Solvation Free Energies of Amino Acid Side-Chain Analogs.In silico and in vitro elucidation of BH3 binding specificity toward Bcl-2PEP-SiteFinder: a tool for the blind identification of peptide binding sites on protein surfaces.Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.Natural-Product-Inspired Aminoepoxybenzoquinones Kill Members of the Gram-Negative Pathogen Salmonella by Attenuating Cellular Stress Response.GradDock: Rapid Simulation and Tailored Ranking Functions for Peptide-MHC Class I Docking.FlexPepDock lessons from CAPRI peptide-protein rounds and suggested new criteria for assessment of model quality and utility.Sub-angstrom modeling of complexes between flexible peptides and globular proteins.Bap (Sil1) regulates the molecular chaperone BiP by coupling release of nucleotide and substrate.Predicting peptide binding sites on protein surfaces by clustering chemical interactions.A fragment-based docking simulation for investigating peptide-protein bindings.Modeling loop backbone flexibility in receptor-ligand docking simulations.Molecular modelling, synthesis and biological evaluation of peptide inhibitors as anti-angiogenic agent targeting neuropilin-1 for anticancer application.Computer-aided design of amino acid-based therapeutics: a review.HPEPDOCK: a web server for blind peptide-protein docking based on a hierarchical algorithm.
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P2860
DynaDock: A new molecular dynamics-based algorithm for protein-peptide docking including receptor flexibility.
description
2010 nî lūn-bûn
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2010年の論文
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2010年学术文章
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2010年学术文章
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2010年学术文章
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2010年学术文章
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2010年学术文章
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name
DynaDock: A new molecular dyna ...... ncluding receptor flexibility.
@en
DynaDock: A new molecular dyna ...... ncluding receptor flexibility.
@nl
type
label
DynaDock: A new molecular dyna ...... ncluding receptor flexibility.
@en
DynaDock: A new molecular dyna ...... ncluding receptor flexibility.
@nl
prefLabel
DynaDock: A new molecular dyna ...... ncluding receptor flexibility.
@en
DynaDock: A new molecular dyna ...... ncluding receptor flexibility.
@nl
P356
P1433
P1476
DynaDock: A new molecular dyna ...... ncluding receptor flexibility.
@en
P2093
Iris Antes
P2860
P304
P356
10.1002/PROT.22629
P407
P577
2010-04-01T00:00:00Z