about
In Silico Folding of a Three Helix Protein and Characterization of Its Free-Energy Landscape in an All-Atom Force FieldStatistical mechanics provides novel insights into microtubule stability and mechanism of shrinkageEnhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolinHybrid global optimization algorithms for protein structure prediction: alternating hybridsMonte Carlo basin paving: an improved global optimization method.Energy-landscape paving for prediction of face-centered-cubic hydrophobic-hydrophilic lattice model proteins.Electronic polarization stabilizes tertiary structure prediction of HP-36.Wang-Landau sampling in face-centered-cubic hydrophobic-hydrophilic lattice model proteins.Guiding conformation space search with an all-atom energy potential.Conformational study of Met-enkephalin based on the ECEPP force fieldsKinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps.Understanding protein folding: small proteins in silico.Accelerating molecular Monte Carlo simulations using distance and orientation-dependent energy tables: tuning from atomistic accuracy to smoothed "coarse-grained" modelsAn all-atom force field for tertiary structure prediction of helical proteins.Folding thermodynamics of peptides.An evolutionary strategy for all-atom folding of the 60-amino-acid bacterial ribosomal protein l20.Generalized pattern search algorithm for Peptide structure prediction.Structure optimization of the two-dimensional off-lattice hydrophobic-hydrophilic model.Symmetrisation schemes for global optimisation of atomic clusters.Relaxation to native conformation of a bond-fluctuating protein chain with hydrophobic and polar nodes.Phase behavior of n-alkanes in supercritical solution: a Monte Carlo study.Designing generalized statistical ensembles for numerical simulations of biopolymers.Pairwise energies for polypeptide coarse-grained models derived from atomic force fields.Folding of Top7 in unbiased all-atom Monte Carlo simulations.A perturbative solution to metadynamics ordinary differential equation.Determination of low-energy structures of a small RNA hairpin using Monte Carlo-based techniques.Protein-folding simulations of the hydrophobic-hydrophilic model by combining pull moves with energy landscape paving.Mimicking coarse-grained simulations without coarse-graining: enhanced sampling by damping short-range interactions.Searching for the optimum structures of alloy nanoclusters.Backbone and side-chain ordering in a small protein.Structure optimization and folding mechanisms of off-lattice protein models using statistical temperature molecular dynamics simulation: Statistical temperature annealing.Driven polymer transport through a nanopore controlled by a rotating electric field: off-lattice computer simulations.Energy optimization for off-lattice protein folding.Optimized parallel tempering simulations of proteins.Deconstructing the energy landscape: constraint-based algorithms for folding heteropolymers.Global optimization and folding pathways of selected alpha-helical proteins.Efficient sampling of protein structures by model hopping.Multicanonical study of coarse-grained off-lattice models for folding heteropolymers.Global structure search for molecules on surfaces: Efficient sampling with curvilinear coordinates.Effects of hydrophobic and dipole-dipole interactions on the conformational transitions of a model polypeptide.
P2860
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P2860
description
2002 nî lūn-bûn
@nan
2002年の論文
@ja
2002年学术文章
@wuu
2002年学术文章
@zh
2002年学术文章
@zh-cn
2002年学术文章
@zh-hans
2002年学术文章
@zh-my
2002年学术文章
@zh-sg
2002年學術文章
@yue
2002年學術文章
@zh-hant
name
Global optimization by energy landscape paving.
@en
Global optimization by energy landscape paving.
@nl
type
label
Global optimization by energy landscape paving.
@en
Global optimization by energy landscape paving.
@nl
prefLabel
Global optimization by energy landscape paving.
@en
Global optimization by energy landscape paving.
@nl
P2860
P1476
Global optimization by energy landscape paving
@en
P2093
Luc T Wille
P2860
P304
P356
10.1103/PHYSREVLETT.88.068105
P407
P577
2002-01-28T00:00:00Z
P5875
P698
P818
physics/0201054