Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments.
about
Coarse-grained description of protein internal dynamics: an optimal strategy for decomposing proteins in rigid subunitsFragment-Based Screen against HIV ProteaseSmall Molecule Regulation of Protein Conformation by Binding in the Flap of HIV ProteaseEffects of Hinge Region Natural Polymorphisms on Human Immunodeficiency Virus-1 Protease Structure, Dynamics and Drug-Pressure EvolutionThe role of select subtype polymorphisms on HIV-1 protease conformational sampling and dynamicsMultiple routes and milestones in the folding of HIV-1 protease monomerSimulating the dynamics and orientations of spin-labeled side chains in a protein-DNA complex.Structural refinement from restrained-ensemble simulations based on EPR/DEER data: application to T4 lysozyme.Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors.Precise mapping of RNA tertiary structure via nanometer distance measurements with double electron-electron resonance spectroscopyAn allosteric modulator of HIV-1 protease shows equipotent inhibition of wild-type and drug-resistant proteasesTunable, mixed-resolution modeling using library-based Monte Carlo and graphics processing units.Insights into the dynamics of HIV-1 protease: a kinetic network model constructed from atomistic simulations.Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics.Improving the description of salt bridge strength and geometry in a Generalized Born model.Pulsed EPR characterization of HIV-1 protease conformational sampling and inhibitor-induced population shifts.Spin labeling and Double Electron-Electron Resonance (DEER) to Deconstruct Conformational Ensembles of HIV Protease.NMR relaxation in proteins with fast internal motions and slow conformational exchange: model-free framework and Markov state simulationsClarifying allosteric control of flap conformations in the 1TW7 crystal structure of HIV-1 protease.Mutational analysis and allosteric effects in the HIV-1 capsid protein carboxyl-terminal dimerization domain.Limiting assumptions in structure-based design: binding entropy.Correlating conformational shift induction with altered inhibitor potency in a multidrug resistant HIV-1 protease variant.Method to Predict Crowding Effects by Postprocessing Molecular Dynamics Trajectories: Application to the Flap Dynamics of HIV-1 Protease.Computer modeling of nitroxide spin labels on proteins.Subtype polymorphisms among HIV-1 protease variants confer altered flap conformations and flexibility.Prediction of HIV-1 protease/inhibitor affinity using RosettaLigand.Distinguishing binders from false positives by free energy calculations: fragment screening against the flap site of HIV proteaseElucidating a relationship between conformational sampling and drug resistance in HIV-1 protease.Effects of PRE and POST therapy drug-pressure selected mutations on HIV-1 protease conformational sampling.Nitroxide sensing of a DNA microenvironment: mechanistic insights from EPR spectroscopy and molecular dynamics simulations.Inhibitor-induced conformational shifts and ligand-exchange dynamics for HIV-1 protease measured by pulsed EPR and NMR spectroscopy.Drug pressure selected mutations in HIV-1 protease alter flap conformations.
P2860
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P2860
Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments.
description
2008 nî lūn-bûn
@nan
2008 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Solution structure of HIV-1 pr ...... ensembles and EPR experiments.
@ast
Solution structure of HIV-1 pr ...... ensembles and EPR experiments.
@en
Solution structure of HIV-1 pr ...... ensembles and EPR experiments.
@nl
type
label
Solution structure of HIV-1 pr ...... ensembles and EPR experiments.
@ast
Solution structure of HIV-1 pr ...... ensembles and EPR experiments.
@en
Solution structure of HIV-1 pr ...... ensembles and EPR experiments.
@nl
prefLabel
Solution structure of HIV-1 pr ...... ensembles and EPR experiments.
@ast
Solution structure of HIV-1 pr ...... ensembles and EPR experiments.
@en
Solution structure of HIV-1 pr ...... ensembles and EPR experiments.
@nl
P2093
P2860
P356
P1476
Solution structure of HIV-1 pr ...... ensembles and EPR experiments.
@en
P2093
Carlos Simmerling
Fangyu Ding
Melinda Layten
P2860
P304
P356
10.1021/JA800893D
P407
P577
2008-05-15T00:00:00Z