Structure and dynamics of an unfolded protein examined by molecular dynamics simulation.
about
Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulationsPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsPhase separation in biology; functional organization of a higher orderBinding Mechanisms of Intrinsically Disordered Proteins: Theory, Simulation, and ExperimentConformational Entropy of Intrinsically Disordered Proteins from Amino Acid TriadsSecondary Structure of Rat and Human Amylin across Force FieldsSlow unfolded-state structuring in Acyl-CoA binding protein folding revealed by simulation and experimentRealistic sampling of amino acid geometries for a multipolar polarizable force fieldConformations of a Metastable SH3 Domain Characterized by smFRET and an Excluded-Volume Polymer ModelCHARMM36 all-atom additive protein force field: validation based on comparison to NMR dataMolecular dynamics simulations of the intrinsically disordered protein amelogenin.Performance of protein-structure predictions with the physics-based UNRES force field in CASP11.Kinks, loops, and protein folding, with protein A as an example.Are current atomistic force fields accurate enough to study proteins in crowded environments?The Dependence of Amyloid-β Dynamics on Protein Force Fields and Water Models.Revised Backbone-Virtual-Bond-Angle Potentials to Treat the l- and d-Amino Acid Residues in the Coarse-Grained United Residue (UNRES) Force FieldAmyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies.Modulation of frustration in folding by sequence permutation.A relationship between the transient structure in the monomeric state and the aggregation propensities of α-synuclein and β-synucleinBenchmarking all-atom simulations using hydrogen exchange.Physics-based potentials for the coupling between backbone- and side-chain-local conformational states in the UNited RESidue (UNRES) force field for protein simulations.Systematically constructing kinetic transition network in polypeptide from top to down: trajectory mapping.Extracting intrinsic dynamic parameters of biomolecular folding from single-molecule force spectroscopy experiments.Decoding Structural Properties of a Partially Unfolded Protein Substrate: En Route to Chaperone Binding.Targeting intrinsically disordered proteins in rational drug discovery.Distribution of Pico- and Nanosecond Motions in Disordered Proteins from Nuclear Spin RelaxationMolecular Dynamics Driven Design of pH-Stabilized Mutants of MNEI, a Sweet ProteinIdentification of minimally interacting modules in an intrinsically disordered protein.Assessing and refining molecular dynamics simulations of proteins with nuclear magnetic resonance data.Conformational Dynamics of Two Natively Unfolded Fragment Peptides: Comparison of the AMBER and CHARMM Force Fields.Characterizing the Conformational Landscape of Flavivirus Fusion Peptides via Simulation and ExperimentStepwise protein folding at near amino acid resolution by hydrogen exchange and mass spectrometry.Folding and self-assembly of a small protein complexMultiscaled exploration of coupled folding and binding of an intrinsically disordered molecular recognition element in measles virus nucleoprotein.Deducing conformational variability of intrinsically disordered proteins from infrared spectroscopy with Bayesian statistics.Temperature-dependent solvation modulates the dimensions of disordered proteins.Residual dipolar couplings measured in unfolded proteins are sensitive to amino-acid-specific geometries as well as local conformational sampling.Reaching new levels of realism in modeling biological macromolecules in cellular environments.Information flow and protein dynamics: the interplay between nuclear magnetic resonance spectroscopy and molecular dynamics simulations.Predictions of Backbone Dynamics in Intrinsically Disordered Proteins Using De Novo Fragment-Based Protein Structure Predictions.
P2860
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P2860
Structure and dynamics of an unfolded protein examined by molecular dynamics simulation.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年学术文章
@wuu
2012年学术文章
@zh
2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
@yue
2012年學術文章
@zh-hant
name
Structure and dynamics of an unfolded protein examined by molecular dynamics simulation.
@en
Structure and dynamics of an unfolded protein examined by molecular dynamics simulation.
@nl
type
label
Structure and dynamics of an unfolded protein examined by molecular dynamics simulation.
@en
Structure and dynamics of an unfolded protein examined by molecular dynamics simulation.
@nl
prefLabel
Structure and dynamics of an unfolded protein examined by molecular dynamics simulation.
@en
Structure and dynamics of an unfolded protein examined by molecular dynamics simulation.
@nl
P2093
P356
P1476
Structure and dynamics of an unfolded protein examined by molecular dynamics simulation.
@en
P2093
David E Shaw
Nikola Trbovic
Paul Maragakis
Stefano Piana
P304
P356
10.1021/JA209931W
P407
P577
2012-02-16T00:00:00Z