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How drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusionPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsMolecular dynamics simulations: advances and applicationsPhysicochemical properties of cells and their effects on intrinsically disordered proteins (IDPs)Markov state models of biomolecular conformational dynamicsComparing protein folding in vitro and in vivo: foldability meets the fitness challengeIdentification and Localization of Gold Nanoparticles in Potassium Ion Pores: Implications for Kir Blockade.Loss of conformational entropy in protein folding calculated using realistic ensembles and its implications for NMR-based calculationsProtein folding and de novo protein design for biotechnological applicationsEnsemble MD simulations restrained via crystallographic data: accurate structure leads to accurate dynamicsHigh accuracy of Karplus equations for relating three-bond J couplings to protein backbone torsion angles.Comparing molecular dynamics force fields in the essential subspace.Determining protein structures by combining semireliable data with atomistic physical models by Bayesian inferenceAssessment of the utility of contact-based restraints in accelerating the prediction of protein structure using molecular dynamics simulations.Theoretical Insights into the Biophysics of Protein Bi-stability and Evolutionary Switches.Recent advances in sequence-based protein structure prediction.Protein Folding and Structure Prediction from the Ground Up II: AAWSEM for α/β Proteins.Geometric Potentials for Computational Protein Sequence Design.Folding simulations for proteins with diverse topologies are accessible in days with a physics-based force field and implicit solventConformational changes of ubiquitin under high pressure conditions: A pressure simulated tempering molecular dynamics study.Chemical exchange in biomacromolecules: past, present, and future.Thermodynamics of Deca-alanine Folding in Water.Web-based computational chemistry education with CHARMMing I: Lessons and tutorial.Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA)3 peptideBalanced Protein-Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein AssociationInfinitely dilute partial molar properties of proteins from computer simulation.Folding pathway of a multidomain protein depends on its topology of domain connectivity.Benchmarking all-atom simulations using hydrogen exchange.Homology modeling, molecular docking, and molecular dynamics simulations elucidated α-fetoprotein binding modes.Quantitative residue-specific protein backbone torsion angle dynamics from concerted measurement of 3J couplingsDependence of internal friction on folding mechanism.The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systemsExtracting intrinsic dynamic parameters of biomolecular folding from single-molecule force spectroscopy experiments.Quantitative interpretation of FRET experiments via molecular simulation: force field and validation.Quantitative evaluation of positive ϕ angle propensity in flexible regions of proteins from three-bond J couplingsAccelerated molecular dynamics simulations of protein folding.As Simple As Possible, but Not Simpler: Exploring the Fidelity of Coarse-Grained Protein Models for Simulated Force Spectroscopy.Using protein motion to read, write, and erase ubiquitin signals.Interaction Networks in Protein Folding via Atomic-Resolution Experiments and Long-Time-Scale Molecular Dynamics SimulationsMycobacterium tuberculosis copper-regulated protein SocB is an intrinsically disordered protein that folds upon interaction with a synthetic phospholipid bilayer
P2860
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P2860
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Atomic-level description of ubiquitin folding.
@ast
Atomic-level description of ubiquitin folding.
@en
type
label
Atomic-level description of ubiquitin folding.
@ast
Atomic-level description of ubiquitin folding.
@en
prefLabel
Atomic-level description of ubiquitin folding.
@ast
Atomic-level description of ubiquitin folding.
@en
P2860
P356
P1476
Atomic-level description of ubiquitin folding.
@en
P2093
David E Shaw
Stefano Piana
P2860
P304
P356
10.1073/PNAS.1218321110
P407
P577
2013-03-15T00:00:00Z