A temperature predictor for parallel tempering simulations.
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Structures of the E46K mutant-type α-synuclein protein and impact of E46K mutation on the structures of the wild-type α-synuclein proteinEffect of sequence and stereochemistry reversal on p53 peptide mimicryRelative Orientation of POTRA Domains from Cyanobacterial Omp85 Studied by Pulsed EPR Spectroscopy.Insights on the structure and stability of Licanantase: a trimeric acid-stable coiled-coil lipoprotein from Acidithiobacillus thiooxidans.The effects of organic solvents on the folding pathway and associated thermodynamics of proteins: a microscopic view.Lattice model for amyloid peptides: OPEP force field parametrization and applications to the nucleus size of Alzheimer's peptides.Temperature-induced unfolding of epidermal growth factor (EGF): insight from molecular dynamics simulationMolecular dynamics simulations of the intrinsically disordered protein amelogenin.Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations.Molecular dynamics simulations of a new branched antimicrobial peptide: a comparison of force fields.The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.The "Lid" in the Streptococcus pneumoniae SrtC1 Sortase Adopts a Rigid Structure that Regulates Substrate Access to the Active Site.Structural heterogeneity of the μ-opioid receptor's conformational ensemble in the apo stateCompaction of Duplex Nucleic Acids upon Native Electrospray Mass Spectrometry.Conformational preference of ChaK1 binding peptides: a molecular dynamics study.Multiscale coarse-graining of the protein energy landscapeUV-activated multilayer nanomatrix provides one-step tunable carbohydrate structural characterization in MALDI-MS.Recognition of the HIV capsid by the TRIM5α restriction factor is mediated by a subset of pre-existing conformations of the TRIM5α SPRY domain.Exploring protein flexibility: incorporating structural ensembles from crystal structures and simulation into virtual screening protocols.Amyloid-β peptide structure in aqueous solution varies with fragment size.An experimental and computational investigation of spontaneous lasso formation in microcin J25.Development of second generation peptides modulating cellular adiponectin receptor responses.Dynamic regulation of phenylalanine hydroxylase by simulated redox manipulationReplica exchange improves sampling in low-resolution docking stage of RosettaDock.Structural diversity and initial oligomerization of PrP106-126 studied by replica-exchange and conventional molecular dynamics simulationsIntrinsic determinants of Aβ(12-24) pH-dependent self-assembly revealed by combined computational and experimental studies.Tau assembly: the dominant role of PHF6 (VQIVYK) in microtubule binding region repeat R3.High-resolution crystal structures of protein helices reconciled with three-centered hydrogen bonds and multipole electrostatics.Sec14-nodulin proteins and the patterning of phosphoinositide landmarks for developmental control of membrane morphogenesisEffects of the Pathogenic Mutation A117V and the Protective Mutation H111S on the Folding and Aggregation of PrP106-126: Insights from Replica Exchange Molecular Dynamics Simulations.Probing the effect of conformational constraint on phosphorylated ligand binding to an SH2 domain using polarizable force field simulations.Decoding Structural Properties of a Partially Unfolded Protein Substrate: En Route to Chaperone Binding.Peptides Targeting EGF Block the EGF-EGFR Interaction.Effect of pH on the Aggregation of α-syn12 Dimer in Explicit Water by Replica-Exchange Molecular Dynamics Simulation.Highly sampled tetranucleotide and tetraloop motifs enable evaluation of common RNA force fields.A molecular tweezer antagonizes seminal amyloids and HIV infection.An Analysis of Biomolecular Force Fields for Simulations of Polyglutamine in SolutionRole of β-hairpin formation in aggregation: the self-assembly of the amyloid-β(25-35) peptide.Disorder-to-Order Transition of an Active-Site Loop Mediates the Allosteric Activation of Sortase A.Molecular simulations and Markov state modeling reveal the structural diversity and dynamics of a theophylline-binding RNA aptamer in its unbound state
P2860
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P2860
A temperature predictor for parallel tempering simulations.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
A temperature predictor for parallel tempering simulations.
@en
A temperature predictor for parallel tempering simulations.
@nl
type
label
A temperature predictor for parallel tempering simulations.
@en
A temperature predictor for parallel tempering simulations.
@nl
prefLabel
A temperature predictor for parallel tempering simulations.
@en
A temperature predictor for parallel tempering simulations.
@nl
P356
P1476
A temperature predictor for parallel tempering simulations.
@en
P2093
Alexandra Patriksson
P304
P356
10.1039/B716554D
P407
P577
2008-02-25T00:00:00Z