Self-consistent Karplus parametrization of 3J couplings depending on the polypeptide side-chain torsion chi1.
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Improved side-chain torsion potentials for the Amber ff99SB protein force fieldPhysicochemical Properties of Ion Pairs of Biological MacromoleculesCHARMM36 all-atom additive protein force field: validation based on comparison to NMR dataFF12MC: A revised AMBER forcefield and new protein simulation protocol.On the calculation of ³Jαβ-coupling constants for side chains in proteins.Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3Deriving Structural Information from Experimentally Measured Data on Biomolecules.Improved Peptide and Protein Torsional Energetics with the OPLSAA Force Field.Side Chain Conformational Distributions of a Small Protein Derived from Model-Free Analysis of a Large Set of Residual Dipolar CouplingsAssessing and refining molecular dynamics simulations of proteins with nuclear magnetic resonance data.Structural dependencies of protein backbone 2JNC' couplingsOptimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles.Drug design from the cryptic inhibitor envelope.The Exact NOE as an Alternative in Ensemble Structure Determination.ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.Aβ monomers transiently sample oligomer and fibril-like configurations: ensemble characterization using a combined MD/NMR approachSide-chain conformational heterogeneity of intermediates in the Escherichia coli dihydrofolate reductase catalytic cycle.Validation of Molecular Simulation: An Overview of Issues.Metadynamic metainference: Convergence towards force field independent structural ensembles of a disordered peptide.OGlcNAcylation and phosphorylation have similar structural effects in α-helices: post-translational modifications as inducible start and stop signals in α-helices, with greater structural effects on threonine modification.Performance of Protein-Ligand Force Fields for the Flavodoxin-Flavin Mononucleotide System.Cofactor-apoprotein hydrogen bonding in oxidized and fully reduced flavodoxin monitored by trans-hydrogen-bond scalar couplings.Calculation and analysis of NMR spin-spin coupling constants.Transforming between discrete and continuous angle distribution models: application to protein χ₁ torsions.MSpin-JCoupling. A modular program for prediction of scalar couplings and fast implementation of Karplus relationships.On the use of time-averaging restraints when deriving biomolecular structure from [Formula: see text]-coupling values obtained from NMR experiments.Communication: Accurate determination of side-chain torsion angle χ1 in proteins: phenylalanine residues.Developing a molecular dynamics force field for both folded and disordered protein states.Measurement of Structural RestraintsHow uniform is the peptide plane geometry? A high-accuracy NMR study of dipolar Cα-C'/H N-N cross-correlated relaxationBestimmung von Strukturinformation aus experimentellen Messdaten für BiomoleküleTheoretical DFT karplus equations: Amino acid side-chain torsion angle χ1Fast Atomic Charge Calculation for Implementation into a Polarizable Force Field and Application to an Ion Channel Protein
P2860
Q24616749-21E71BA4-4D7B-4862-9EA4-D57C9861B020Q26782002-B4D240AA-0C04-4151-919E-165195677740Q30351917-95C2209C-5641-4DA4-9302-7BAE809484ECQ30389832-AB4F04EB-1F1C-4E79-9303-8AA68B48E77DQ30418253-16E8ECE0-44D4-42B4-A142-C6009B278BF6Q31011692-5FB7D021-A3A8-4636-B36C-E228A8634A73Q31143273-477D9383-06D3-497E-A35C-D36CCDF842FCQ35857030-F438DB2F-0FFE-4468-A200-91B30E85190FQ36333871-05DF813C-4416-4406-930A-A3A24B1CB3CEQ36373046-E815B24E-81EB-4AD4-8316-D6FEE5109C19Q36503310-3AA65F08-6422-49D5-A09A-52EF3386E3CDQ36546184-1456A63E-FC64-4C27-A871-7D585246304FQ36637019-08630487-F92F-4BB7-A5A7-7912E67A4520Q36724343-9942DA3A-0483-4FD9-B82D-D53116676542Q36766916-F1175E67-42A0-4907-B3D5-DA19EFC2063FQ37191689-51B3E427-F22E-46E9-A8B0-4F2358ADA0B1Q37228754-BE269CD7-AEB2-4612-A64B-DBB4E26BCE69Q38691259-43096493-40E3-48DE-938B-E4AE5D94D825Q38813050-FA3A6F35-49FC-4DDB-B4C5-2B922421E27BQ39045464-55AE41D3-D256-413D-8BC7-1825E681FD83Q39576852-3B591F1D-B8A6-412C-817E-DF0A26935B2DQ45130656-CFAA908A-59D6-415B-BA56-60C6291533E0Q46418077-55CC3E12-61EA-4BC7-894F-0BC3B86B73FCQ47322797-8CFDFF4C-3C38-4AF4-931A-363DF641F025Q47671934-E85DD8BA-D12E-49E9-ABC8-493041CABF33Q50583483-FA105735-3298-4225-AD64-0371E0B591FAQ51602933-70E1F445-8F99-43D7-93ED-7B34A5DBED6BQ55310411-97764B38-4ED1-434E-83D2-D9CCBD19D1D7Q57080179-D4E950B2-00DA-42F4-9C67-646E11C4F9F8Q57097004-17993F02-2E48-4FC8-BCD7-1207FAC7150AQ57204634-A4C774A6-3A53-479C-ADCD-1336D26AA71AQ58023820-6BC4AB00-BC42-4FD8-8E07-6EAC646A72A1Q59112216-EEA1E75B-2FF9-41D2-8F10-A0379BEC69BF
P2860
Self-consistent Karplus parametrization of 3J couplings depending on the polypeptide side-chain torsion chi1.
description
2001 nî lūn-bûn
@nan
2001 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Self-consistent Karplus parame ...... ptide side-chain torsion chi1.
@ast
Self-consistent Karplus parame ...... ptide side-chain torsion chi1.
@en
type
label
Self-consistent Karplus parame ...... ptide side-chain torsion chi1.
@ast
Self-consistent Karplus parame ...... ptide side-chain torsion chi1.
@en
prefLabel
Self-consistent Karplus parame ...... ptide side-chain torsion chi1.
@ast
Self-consistent Karplus parame ...... ptide side-chain torsion chi1.
@en
P2093
P356
P1476
Self-consistent Karplus parame ...... ptide side-chain torsion chi1.
@en
P2093
P304
P356
10.1021/JA003724J
P407
P577
2001-07-01T00:00:00Z