about
Unfolded-state dynamics and structure of protein L characterized by simulation and experimentA review of combined experimental and computational procedures for assessing biopolymer structure-process-property relationshipsEnergy landscape and global optimization for a frustrated model protein.Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins.Sequence periodicity and secondary structure propensity in model proteins.Implementation of molecular dynamics and its extensions with the coarse-grained UNRES force field on massively parallel systems; towards millisecond-scale simulations of protein structure, dynamics, and thermodynamics.Role of Backbone Dipole Interactions in the Formation of Secondary and Supersecondary Structures of Proteins.Contrasting disease and nondisease protein aggregation by molecular simulationCharacterization of the folding landscape of monomeric lactose repressor: quantitative comparison of theory and experimentProtein folding by distributed computing and the denatured state ensemble.Recovering physical potentials from a model protein databankOn the dynamics of molecular conformation.Topographical complexity of multidimensional energy landscapes.Coarse-Grained Simulations of Topology-Dependent Mechanisms of Protein Unfolding and Translocation Mediated by ClpY ATPase NanomachinesTemperature-dependent folding pathways of Pin1 WW domain: an all-atom molecular dynamics simulation of a Gō model.Protofibril assemblies of the arctic, Dutch, and Flemish mutants of the Alzheimer's Abeta1-40 peptideIntermediates and the folding of proteins L and G.Recent advances in transferable coarse-grained modeling of proteins.Perspective: Coarse-grained models for biomolecular systems.Hybridizing rapidly exploring random trees and basin hopping yields an improved exploration of energy landscapes.Constructing multi-resolution Markov State Models (MSMs) to elucidate RNA hairpin folding mechanismsAn implicit solvent coarse-grained lipid model with correct stress profile.Testing simplified proteins models of the hPin1 WW domain.Determining the critical nucleus and mechanism of fibril elongation of the Alzheimer's Abeta(1-40) peptide.A coarse-grained alpha-carbon protein model with anisotropic hydrogen-bonding.Using a reduced dimensionality model to compute the thermodynamic properties of finite polypeptide aggregates.The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials.Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with alpha and alpha+beta Proteins.Protein aggregation determinants from a simplified model: cooperative folders resist aggregation.Mapping all-atom models onto one-bead Coarse Grained Models: general properties and applications to a minimal polypeptide model.A simple coarse-grained model for self-assembling silk-like protein fibers.Sketching protein aggregation with a physics-based toy model.Breakout character of islet amyloid polypeptide hydrophobic mutations at the onset of type-2 diabetes.New method for determining size of critical nucleus of fibril formation of polypeptide chains.The effect of sequence on the conformational stability of a model heteropolymer in explicit water.Brownian dynamics simulations of polyelectrolyte adsorption in shear flow: effects of solvent quality and charge patterning.Two Perturbations for Geometry Optimization of Off-lattice Bead Protein Models.Influence of pH and sequence in peptide aggregation via molecular simulation.Conformational ensembles and sampled energy landscapes: Analysis and comparison.Mesoscale model of polymer melt structure: self-consistent mapping of molecular correlations to coarse-grained potentials.
P2860
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P2860
description
2003 nî lūn-bûn
@nan
2003年の論文
@ja
2003年学术文章
@wuu
2003年学术文章
@zh-cn
2003年学术文章
@zh-hans
2003年学术文章
@zh-my
2003年学术文章
@zh-sg
2003年學術文章
@yue
2003年學術文章
@zh
2003年學術文章
@zh-hant
name
Coarse-grained sequences for protein folding and design
@ast
Coarse-grained sequences for protein folding and design
@en
type
label
Coarse-grained sequences for protein folding and design
@ast
Coarse-grained sequences for protein folding and design
@en
prefLabel
Coarse-grained sequences for protein folding and design
@ast
Coarse-grained sequences for protein folding and design
@en
P2093
P2860
P356
P1476
Coarse-grained sequences for protein folding and design
@en
P2093
Nicolas J Fawzi
Scott Brown
Teresa Head-Gordon
P2860
P304
10712-10717
P356
10.1073/PNAS.1931882100
P407
P577
2003-09-08T00:00:00Z