Molecular dynamics simulation techniques for determination of molecular structures from nuclear magnetic resonance data

Controlling forward and backward rotary molecular motion on demand.

Nature communications·2022

The therapeutic effect of mitochondria-targeted antioxidant SkQ1 and Cistanche deserticola is associated with increased levels of tryptophan and kynurenine in the rat lens.

Doklady. Biochemistry and biophysics·2013

Kinetic mechanism of the interaction of Saccharomyces cerevisiae AP-endonuclease 1 with DNA substrates.

Biochemistry. Biokhimiia·2012

Time-saving methods for heteronuclear multidimensional NMR of ((13)C, (15)N) doubly labeled proteins.

Journal of biomolecular NMR·2012

(1)H, (13)C and (15)N NMR backbone assignments of the 269-residue serine protease PB92 from Bacillus alcalophilus.

Journal of biomolecular NMR·2012

Time- and ensemble-averaged direct NOE restraints.

Journal of biomolecular NMR·2012

Clinical Europium fluorescent based lectin assays for mucin O-glycomics.

Methods in enzymology·2026

A dual-color FRET assay for detection and quantitative analysis of O-glycopeptidases.

Methods in enzymology·2026

Evolutionary genetic approaches to analyze mucins.

Methods in enzymology·2026

Ex vivo imaging and enzymatic analysis of intestinal mucus.

Methods in enzymology·2026

Glyco-TRAPP: A real-time glycocalyx permeability assay for assessing transmembrane mucin barrier function in live and fixed tissues.

Methods in enzymology·2026

Quantitative imaging approaches to capture structural and functional dynamics of colonic mucus in health and disease in situ.

Methods in enzymology·2026

Interaction frequencies as a means to design multicomponent forms.

Acta crystallographica Section B, Structural science, crystal engineering and materials·2026

Δ -Machine Learning for the Prediction of Metal Complex Properties.

Chemistry (Weinheim an der Bergstrasse, Germany)·2026

Coordination-informed machine learning enables virtual screening of phenanthroline ligands by predicting Am/Eu binding preferences.

Chemical communications (Cambridge, England)·2026

Computational prediction of substrate scope of a homogeneous catalyst: the case of metal-free C-H borylation by a frustrated Lewis pair catalyst.

Chemical science·2026

SurroDock: A Deep Learning Surrogate for Accelerated Pre-Docking Ligand Prioritization in Structure-Based Virtual Screening.

International journal of molecular sciences·2026

Computational study of the CO 2 hydrogenation to formic acid catalyzed by a P,P-bidentate copper(I) complex.

Journal of molecular modeling·2026

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Molecular dynamics simulation techniques for determination of molecular structures from nuclear magnetic resonance

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Controlling forward and backward rotary molecular motion on demand.

The therapeutic effect of mitochondria-targeted antioxidant SkQ1 and Cistanche deserticola is associated with increased levels of tryptophan and kynurenine in the rat lens.

Kinetic mechanism of the interaction of Saccharomyces cerevisiae AP-endonuclease 1 with DNA substrates.

Time-saving methods for heteronuclear multidimensional NMR of ((13)C, (15)N) doubly labeled proteins.

(1)H, (13)C and (15)N NMR backbone assignments of the 269-residue serine protease PB92 from Bacillus alcalophilus.

Time- and ensemble-averaged direct NOE restraints.

Clinical Europium fluorescent based lectin assays for mucin O-glycomics.

A dual-color FRET assay for detection and quantitative analysis of O-glycopeptidases.

Evolutionary genetic approaches to analyze mucins.

Ex vivo imaging and enzymatic analysis of intestinal mucus.

Glyco-TRAPP: A real-time glycocalyx permeability assay for assessing transmembrane mucin barrier function in live and fixed tissues.

Quantitative imaging approaches to capture structural and functional dynamics of colonic mucus in health and disease in situ.

Interaction frequencies as a means to design multicomponent forms.

Δ -Machine Learning for the Prediction of Metal Complex Properties.

Coordination-informed machine learning enables virtual screening of phenanthroline ligands by predicting Am/Eu binding preferences.

Computational prediction of substrate scope of a homogeneous catalyst: the case of metal-free C-H borylation by a frustrated Lewis pair catalyst.

SurroDock: A Deep Learning Surrogate for Accelerated Pre-Docking Ligand Prioritization in Structure-Based Virtual Screening.

Computational study of the CO 2 hydrogenation to formic acid catalyzed by a P,P-bidentate copper(I) complex.

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Molecular dynamics simulation techniques for determination of molecular structures from nuclear magnetic resonance...

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Molecular dynamics simulation techniques for determination of molecular structures from nuclear magnetic resonance