ICM-DISCO docking by global energy optimization with fully flexible side-chains.
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Hierarchical docking of databases of multiple ligand conformationsMolecular flexibility in ab initio drug docking to DNA: binding-site and binding-mode transitions in all-atom Monte Carlo simulationsSampling and scoring: a marriage made in heavenStructural Model of the Extracellular Assembly of the TCR-CD3 Complex.ATTRACT-EM: a new method for the computational assembly of large molecular machines using cryo-EM mapsDoubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by DeacylcortivazolHuman HDAC7 Harbors a Class IIa Histone Deacetylase-specific Zinc Binding Motif and Cryptic Deacetylase ActivityLigand pose and orientational sampling in molecular dockingBackrub-like backbone simulation recapitulates natural protein conformational variability and improves mutant side-chain predictionMonte Carlo replica-exchange based ensemble docking of protein conformations.Identification of the protein kinase A regulatory RIalpha-catalytic subunit interface by amide H/2H exchange and protein docking.DrugScorePPI knowledge-based potentials used as scoring and objective function in protein-protein docking.Pushing structural information into the yeast interactome by high-throughput protein docking experimentsDesigning coarse grained-and atom based-potentials for protein-protein dockingScoring docking conformations using predicted protein interfaces.Engineered annexin A5 variants have impaired cell entry for molecular imaging of apoptosis using pretargeting strategies.Macromolecular docking restrained by a small angle X-ray scattering profile.In silico studies on DARC.Replica exchange improves sampling in low-resolution docking stage of RosettaDock.Application of Enhanced Sampling Monte Carlo Methods for High-Resolution Protein-Protein Docking in Rosetta.Predicting protein interactions by Brownian dynamics simulationsEvaluation of the coarse-grained OPEP force field for protein-protein docking.PPCheck: A Webserver for the Quantitative Analysis of Protein-Protein Interfaces and Prediction of Residue HotspotsMonte Carlo refinement of rigid-body protein docking structures with backbone displacement and side-chain optimization.Predictive energy landscapes for protein-protein associationA method for integrative structure determination of protein-protein complexes.Evolutionary Conservation of a GPCR-Independent Mechanism of Trimeric G Protein ActivationFireDock: a web server for fast interaction refinement in molecular dockingPrinciples of flexible protein-protein dockingConvergence and combination of methods in protein-protein docking.Accounting for large amplitude protein deformation during in silico macromolecular docking.Structure-based drug screening for G-protein-coupled receptorsThe ClusPro web server for protein-protein docking.Modeling oblong proteins and water-mediated interfaces with RosettaDock in CAPRI rounds 28-35.Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking.HPr kinase/phosphorylase, the sensor enzyme of catabolite repression in Gram-positive bacteria: structural aspects of the enzyme and the complex with its protein substrateSurface-histogram: a new shape descriptor for protein-protein docking.Present and future challenges and limitations in protein-protein docking.Interaction with serum albumin as a factor of the photodynamic efficacy of novel bacteriopurpurinimide derivatives.pyDockSAXS: protein-protein complex structure by SAXS and computational docking.
P2860
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P2860
ICM-DISCO docking by global energy optimization with fully flexible side-chains.
description
2003 nî lūn-bûn
@nan
2003年の論文
@ja
2003年学术文章
@wuu
2003年学术文章
@zh
2003年学术文章
@zh-cn
2003年学术文章
@zh-hans
2003年学术文章
@zh-my
2003年学术文章
@zh-sg
2003年學術文章
@yue
2003年學術文章
@zh-hant
name
ICM-DISCO docking by global energy optimization with fully flexible side-chains.
@en
ICM-DISCO docking by global energy optimization with fully flexible side-chains.
@nl
type
label
ICM-DISCO docking by global energy optimization with fully flexible side-chains.
@en
ICM-DISCO docking by global energy optimization with fully flexible side-chains.
@nl
prefLabel
ICM-DISCO docking by global energy optimization with fully flexible side-chains.
@en
ICM-DISCO docking by global energy optimization with fully flexible side-chains.
@nl
P2860
P356
P1433
P1476
ICM-DISCO docking by global energy optimization with fully flexible side-chains.
@en
P2093
Maxim Totrov
Ruben Abagyan
P2860
P304
P356
10.1002/PROT.10383
P407
P577
2003-07-01T00:00:00Z