Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics
about
Recent Progress in Treating Protein-Ligand Interactions with Quantum-Mechanical MethodsBayesian inference of protein structure from chemical shift data.ProCS15: a DFT-based chemical shift predictor for backbone and Cβ atoms in proteins.A simple graphical approach to predict local residue conformation using NMR chemical shifts and density functional theory.Protein structure refinement using a quantum mechanics-based chemical shielding predictorToward Closing the Gap: Quantum Mechanical Calculations and Experimentally Measured Chemical Shifts of a Microcrystalline Lectin.FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models.Automated Fragmentation QM/MM Calculation of NMR Chemical Shifts for Protein-Ligand Complexes.
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P2860
Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics
description
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2013 թուականին հրատարակուած գիտական յօդուած
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2013 թվականին հրատարակված գիտական հոդված
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2013年の論文
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2013年論文
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2013年論文
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2013年論文
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2013年論文
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2013年論文
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2013年论文
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name
Protein structure validation a ...... derived from quantum mechanics
@ast
Protein structure validation a ...... derived from quantum mechanics
@en
Protein structure validation a ...... derived from quantum mechanics
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label
Protein structure validation a ...... derived from quantum mechanics
@ast
Protein structure validation a ...... derived from quantum mechanics
@en
Protein structure validation a ...... derived from quantum mechanics
@nl
prefLabel
Protein structure validation a ...... derived from quantum mechanics
@ast
Protein structure validation a ...... derived from quantum mechanics
@en
Protein structure validation a ...... derived from quantum mechanics
@nl
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Protein structure validation a ...... derived from quantum mechanics
@en
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Anders S Christensen
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10.1371/JOURNAL.PONE.0084123
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2013-12-31T00:00:00Z