Systematic determination of order parameters for chain dynamics using diffusion maps.
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Discovering conformational sub-states relevant to protein functionAtomic-level characterization of transport cycle thermodynamics in the glycerol-3-phosphate:phosphate antiporterInherent structure versus geometric metric for state space discretization.Rich Dynamics Underlying Solution Reactions Revealed by Sampling and Data Mining of Reactive TrajectoriesTopological obstructions in the way of data-driven collective variables.A molecular dynamics study of oxygen ion diffusion in A-site ordered perovskite PrBaCo(2)O(5.5): data mining the oxygen trajectories.Machine learning assembly landscapes from particle tracking data.Computational Recipe for Efficient Description of Large-Scale Conformational Changes in Biomolecular SystemsDiffusion maps, clustering and fuzzy Markov modeling in peptide folding transitionsAn experimental and computational investigation of spontaneous lasso formation in microcin J25.Modeling and enhanced sampling of molecular systems with smooth and nonlinear data-driven collective variables.From the Cover: Simplifying the representation of complex free-energy landscapes using sketch-map.Subcontinuum mass transport of condensed hydrocarbons in nanoporous media.Classification of projection images of proteins with structural polymorphism by manifold: a simulation study for x-ray free-electron laser diffraction imaging.Using sketch-map coordinates to analyze and bias molecular dynamics simulationsLocating binding poses in protein-ligand systems using reconnaissance metadynamics.A Transport Model for Estimating the Time Course of ERK Activation in the C. elegans Germline.BayesWHAM: A Bayesian approach for free energy estimation, reweighting, and uncertainty quantification in the weighted histogram analysis method.A coarse-grained protein model in a water-like solvent.Evaluation of Dimensionality-reduction Methods from Peptide Folding-unfolding Simulations.Mapping and classifying molecules from a high-throughput structural database.Machine learning for autonomous crystal structure identification.Charting molecular free-energy landscapes with an atlas of collective variables.Dynamic colloidal assembly pathways via low dimensional models.Equation-free analysis of spike-timing-dependent plasticity.Nonlinear machine learning and design of reconfigurable digital colloids.Rapid exploration of configuration space with diffusion-map-directed molecular dynamicsColloidal crystal grain boundary formation and motion.On coarse projective integration for atomic deposition in amorphous systems.Multi-atom pattern analysis for binary superlattices.Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamics.Recognizing molecular patterns by machine learning: an agnostic structural definition of the hydrogen bond.Nonlinear reconstruction of single-molecule free-energy surfaces from univariate time series.Phase behavior of the 38-atom Lennard-Jones cluster.Local-feature analysis for automated coarse-graining of bulk-polymer molecular dynamics simulations.Colloidal cluster crystallization dynamics.Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.Integrating diffusion maps with umbrella sampling: application to alanine dipeptide.Machine learning for the structure-energy-property landscapes of molecular crystals.
P2860
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P2860
Systematic determination of order parameters for chain dynamics using diffusion maps.
description
2010 nî lūn-bûn
@nan
2010 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Systematic determination of order parameters for chain dynamics using diffusion maps.
@ast
Systematic determination of order parameters for chain dynamics using diffusion maps.
@en
type
label
Systematic determination of order parameters for chain dynamics using diffusion maps.
@ast
Systematic determination of order parameters for chain dynamics using diffusion maps.
@en
prefLabel
Systematic determination of order parameters for chain dynamics using diffusion maps.
@ast
Systematic determination of order parameters for chain dynamics using diffusion maps.
@en
P2860
P356
P1476
Systematic determination of order parameters for chain dynamics using diffusion maps
@en
P2093
Ioannis G Kevrekidis
Pablo G Debenedetti
P2860
P304
13597-13602
P356
10.1073/PNAS.1003293107
P407
P577
2010-07-19T00:00:00Z