Structural insights for designed alanine-rich helices: comparing NMR helicity measures and conformational ensembles from molecular dynamics simulation
about
Partial unfolding and refolding for structure refinement: A unified approach of geometric simulations and molecular dynamics.β-Sheet 13C structuring shifts appear only at the H-bonded sites of hairpins.Improved Generalized Born Solvent Model Parameters for Protein Simulations.Lysine and arginine residues do not increase the helicity of alanine-rich peptide helices.Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Modelff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins.Inhibitory mechanism of peptides with a repeating hydrophobic and hydrophilic residue pattern on interleukin-10.Optimal salt bridge for Trp-cage stabilization.Links between the charge model and bonded parameter force constants in biomolecular force fields.
P2860
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P2860
Structural insights for designed alanine-rich helices: comparing NMR helicity measures and conformational ensembles from molecular dynamics simulation
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
@pt
bilimsel makale
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scientific article published on September 2008
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Structural insights for design ...... molecular dynamics simulation
@en
Structural insights for design ...... molecular dynamics simulation.
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type
label
Structural insights for design ...... molecular dynamics simulation
@en
Structural insights for design ...... molecular dynamics simulation.
@nl
prefLabel
Structural insights for design ...... molecular dynamics simulation
@en
Structural insights for design ...... molecular dynamics simulation.
@nl
P2093
P2860
P356
P1433
P1476
Structural insights for design ...... molecular dynamics simulation
@en
P2093
Carlos Simmerling
James M Stewart
Niels H Andersen
R Matthew Fesinmeyer
P2860
P304
P356
10.1002/BIP.21004
P577
2008-09-01T00:00:00Z