about
Flexible ligand docking to multiple receptor conformations: a practical alternativePrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsMolecular dynamics simulations: advances and applicationsProtein flexibility in docking and surface mappingExploring the role of receptor flexibility in structure-based drug discoveryBenzimidazole inhibitors of the protein kinase CHK2: Clarification of the binding mode by flexible side chain docking and protein–ligand crystallographyOrg 214007-0: a novel non-steroidal selective glucocorticoid receptor modulator with full anti-inflammatory properties and improved therapeutic indexEndocrine Disruption: Computational Perspectives on Human Sex Hormone-Binding Globulin and Phthalate PlasticizersAdaptability in protein structures: structural dynamics and implications in ligand design.Re-refinement from deposited X-ray data can deliver improved models for most PDB entries.Rapid flexible docking using a stochastic rotamer library of ligandsA theoretical entropy score as a single value to express inhibitor selectivity.Computational fragment-based screening using RosettaLigand: the SAMPL3 challenge.Advances and challenges in protein-ligand dockingEfficient incorporation of protein flexibility and dynamics into molecular docking simulationsSystem among the corticosteroids: specificity and molecular dynamics.SDRL: a sequence-dependent protein side-chain rotamer library.Pocketome: an encyclopedia of small-molecule binding sites in 4DEndocrine disruption: In silico perspectives of interactions of di-(2-ethylhexyl)phthalate and its five major metabolites with progesterone receptor.Human sex hormone-binding globulin as a potential target of alternate plasticizers: an in silico study.Target flexibility: an emerging consideration in drug discovery and design.Automated site preparation in physics-based rescoring of receptor ligand complexesComputational evaluation of protein-small molecule binding.Analysis of loop boundaries using different local structure assignment methods.Homology modelling and spectroscopy, a never-ending love story.Molecular dynamics, dynamic site mapping, and highthroughput virtual screening on leptin and the Ob receptor as anti-obesity target.Understanding the challenges of protein flexibility in drug design.PeptiSite: a structural database of peptide binding sites in 4D.Receptor-ligand molecular docking.2-methoxyestradiol impacts on amino acids-mediated metabolic reprogramming in osteosarcoma cells by its interaction with NMDA receptor.Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations.PDB_REDO: automated re-refinement of X-ray structure models in the PDB.BP-Dock: a flexible docking scheme for exploring protein-ligand interactions based on unbound structures.Isolation, structural elucidation and antiplasmodial activity of fucosterol compound from brown seaweed, Sargassum linearifolium against malarial parasite Plasmodium falciparum.Molecular insights on TNKS1/TNKS2 and inhibitor-IWR1 interactions.Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment.On homology modeling of the M₂ muscarinic acetylcholine receptor subtype.Enzyme-specific activation versus leaving group ability.Generation of receptor structural ensembles for virtual screening using binding site shape analysis and clustering.Fleksy: a flexible approach to induced fit docking.
P2860
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P2860
description
2007 nî lūn-bûn
@nan
2007 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
A flexible approach to induced fit docking.
@ast
A flexible approach to induced fit docking.
@en
A flexible approach to induced fit docking.
@nl
type
label
A flexible approach to induced fit docking.
@ast
A flexible approach to induced fit docking.
@en
A flexible approach to induced fit docking.
@nl
prefLabel
A flexible approach to induced fit docking.
@ast
A flexible approach to induced fit docking.
@en
A flexible approach to induced fit docking.
@nl
P2093
P356
P1476
A flexible approach to induced fit docking.
@en
P2093
Jacob de Vlieg
Markus Wagener
Sander B Nabuurs
P304
P356
10.1021/JM070593P
P407
P577
2007-11-22T00:00:00Z