Structure of Met-enkephalin in explicit aqueous solution using replica exchange molecular dynamics.
about
An implicit membrane generalized born theory for the study of structure, stability, and interactions of membrane proteins.Crowded, cell-like environment induces shape changes in aspherical proteinLoss of G-A base pairs is insufficient for achieving a large opening of U4 snRNA K-turn motifRational optimization of conformational effects induced by hydrocarbon staples in peptides and their binding interfacesEquilibrium sampling in biomolecular simulationspH replica-exchange method based on discrete protonation statesMolecular dynamics study on folding and allostery in RfaH.Backbone relaxation coupled to the ionization of internal groups in proteins: a self-guided Langevin dynamics study.Folding of a highly conserved diverging turn motif from the SH3 domain.Role of the closing base pair for d(GCA) hairpin stability: free energy analysis and folding simulations.Union of geometric constraint-based simulations with molecular dynamics for protein structure prediction.Systematic determination of order parameters for chain dynamics using diffusion maps.Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations.Reversible folding simulation by hybrid Hamiltonian replica exchange.Rapid equilibrium sampling initiated from nonequilibrium dataSimulation of the folding equilibrium of alpha-helical peptides: a comparison of the generalized Born approximation with explicit solventGeneralized Scalable Multiple Copy Algorithms for Molecular Dynamics Simulations in NAMD.Molecular crowding enhances native state stability and refolding rates of globular proteins.NCAD, a database integrating the intrinsic conformational preferences of non-coded amino acids.The effect of macromolecular crowding, ionic strength and calcium binding on calmodulin dynamics.Multiplexed-replica exchange molecular dynamics method for protein folding simulation.Insights into nucleic acid conformational dynamics from massively parallel stochastic simulationsRole of backbone hydration and salt-bridge formation in stability of alpha-helix in solution.An experimental and computational investigation of spontaneous lasso formation in microcin J25.Generalized simulated tempering for exploring strong phase transitions.Nanostructure and molecular mechanics of spider dragline silk protein assembliesAtomically detailed folding simulation of the B domain of staphylococcal protein A from random structures.Stable and metastable states of human amylin in solution.Folding, misfolding, and amyloid protofibril formation of WW domain FBP28.Ensemble-based convergence analysis of biomolecular trajectories.Protein stability at a carbon nanotube interface.Methods for SAXS-based structure determination of biomolecular complexes.Replica exchange improves sampling in low-resolution docking stage of RosettaDock.Conformational study of Met-enkephalin based on the ECEPP force fieldsComputational ligand-based rational design: Role of conformational sampling and force fields in model development.Multiple replica repulsion technique for efficient conformational sampling of biological systems.Nature of structural inhomogeneities on folding a helix and their influence on spectral measurements.Molecular simulation uncovers the conformational space of the λ Cro dimer in solution.Folding of a DNA hairpin loop structure in explicit solvent using replica-exchange molecular dynamics simulations.Molecular crowding enhances native structure and stability of alpha/beta protein flavodoxin.
P2860
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P2860
Structure of Met-enkephalin in explicit aqueous solution using replica exchange molecular dynamics.
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
Structure of Met-enkephalin in ...... a exchange molecular dynamics.
@en
Structure of Met-enkephalin in ...... a exchange molecular dynamics.
@nl
type
label
Structure of Met-enkephalin in ...... a exchange molecular dynamics.
@en
Structure of Met-enkephalin in ...... a exchange molecular dynamics.
@nl
prefLabel
Structure of Met-enkephalin in ...... a exchange molecular dynamics.
@en
Structure of Met-enkephalin in ...... a exchange molecular dynamics.
@nl
P2860
P356
P1433
P1476
Structure of Met-enkephalin in ...... a exchange molecular dynamics.
@en
P2093
Sanbonmatsu KY
P2860
P304
P356
10.1002/PROT.1167
P407
P577
2002-02-01T00:00:00Z