about
Tracing Primordial Protein Evolution through Structurally Guided Stepwise Segment ElongationEnhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolinSystematic validation of protein force fields against experimental dataFF12MC: A revised AMBER forcefield and new protein simulation protocol.Stabilizing capping motif for beta-hairpins and sheets.How fast-folding proteins fold.Raising the speed limit for β-hairpin formation.Speed of conformational change: comparing explicit and implicit solvent molecular dynamics simulationsThe intrinsic conformational features of amino acids from a protein coil library and their applications in force field development.Dynamics of an ultrafast folding subdomain in the context of a larger protein fold.β-Sheet 13C structuring shifts appear only at the H-bonded sites of hairpins.Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical ModelConvergent evolution in structural elements of proteins investigated using cross profile analysis.Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulationsff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.Mutational effects on the folding dynamics of a minimized hairpin.Use of multiple picosecond high-mass molecular dynamics simulations to predict crystallographic B-factors of folded globular proteins.A second look at mini-protein stability: analysis of FSD-1 using circular dichroism, differential scanning calorimetry, and simulations.Bifunctional asymmetric catalysis: amplification of Brønsted basicity can orthogonally increase the reactivity of a chiral Brønsted acid.Molecular dynamics analysis of the conformations of a beta-hairpin miniprotein.Aryl-Aryl interactions in designed peptide folds: Spectroscopic characteristics and placement issues for optimal structure stabilization.Itinerary profiling to analyze a large number of protein-folding trajectories.VCD spectroscopic properties of the beta-hairpin forming miniprotein CLN025 in various solvents.Force-field dependence of chignolin folding and misfolding: comparison with experiment and redesign.The CLN025 decapeptide retains a β-hairpin conformation in urea and guanidinium chloride.Characterizing protein energy landscape by self-learning multiscale simulations: application to a designed β-hairpin.AlphaScreen-based homogeneous assay using a pair of 25-residue artificial proteins for high-throughput analysis of non-native IgG.Modeling the mechanism of CLN025 beta-hairpin formation.Low-mass molecular dynamics simulation for configurational sampling enhancement: More evidence and theoretical explanation.Hierarchical design of artificial proteins and complexes toward synthetic structural biology.Development of SAAP3D force field and the application to replica-exchange Monte Carlo simulation for chignolin and C-peptide.Evaluating the peptide structure prediction capabilities of a purely ab-initio method.Validation of Molecular Dynamics Simulations for Prediction of Three-Dimensional Structures of Small Proteins.Physical origins of the high structural stability of CLN025 with only ten residues.Statistical thermodynamics of aromatic-aromatic interactions in aqueous solution.Folding 19 proteins to their native state and stability of large proteins from a coarse-grained model.Developing a molecular dynamics force field for both folded and disordered protein states.A long-range electrostatic potential based on the Wolf method charge-neutral condition
P2860
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P2860
description
2008 nî lūn-bûn
@nan
2008 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Crystal structure of a ten-amino acid protein
@ast
Crystal structure of a ten-amino acid protein
@en
Crystal structure of a ten-amino acid protein
@nl
type
label
Crystal structure of a ten-amino acid protein
@ast
Crystal structure of a ten-amino acid protein
@en
Crystal structure of a ten-amino acid protein
@nl
prefLabel
Crystal structure of a ten-amino acid protein
@ast
Crystal structure of a ten-amino acid protein
@en
Crystal structure of a ten-amino acid protein
@nl
P2093
P3181
P356
P1476
Crystal structure of a ten-amino acid protein
@en
P2093
Ayako Ooishi
Hideki Watanabe
Kazuaki Harata
Masakazu Sekijima
Miyuki Ishimura
Shinya Honda
Takayuki Odahara
Toshihiko Akiba
Yoshito Sawada
Yusuke S Kato
P304
P3181
P356
10.1021/JA8030533
P407
P577
2008-11-19T00:00:00Z