List of works - Jiayun Pang

Atomistic insight into the origin of the temperature-dependence of kinetic isotope effects and H-tunnelling in enzyme systems is revealed through combined experimental studies and biomolecular simulation.

scientific article published on February 2008

Barrier compression enhances an enzymatic hydrogen-transfer reaction.

scientific article published in January 2009

Deep tunneling dominates the biologically important hydride transfer reaction from NADH to FMN in morphinone reductase

scientific article published on 10 May 2008

Drug-polymer intermolecular interactions in hot-melt extruded solid dispersions.

scientific article

Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction

scientific article

Hydride transfer reaction catalyzed by hyperthermophilic dihydrofolate reductase is dominated by quantum mechanical tunneling and is promoted by both inter- and intramonomeric correlated motions.

scientific article published in June 2006

Large-Scale Domain Conformational Change Is Coupled to the Activation of the Co–C Bond in the B12-Dependent Enzyme Ornithine 4,5-Aminomutase: A Computational Study

scientific article published on 19 January 2012

Molecular Modeling as a Predictive Tool for the Development of Solid Dispersions

article

Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms

scientific article

New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study.

scientific article published in May 2010

Parallel pathways and free-energy landscapes for enzymatic hydride transfer probed by hydrostatic pressure

scientific article

Protein motions during catalysis by dihydrofolate reductases.

scientific article

Quantum Mechanics/Molecular Mechanics Studies on the Mechanism of Action of Cofactor Pyridoxal 5′-Phosphate in Ornithine 4,5-Aminomutase

scientific article published on 22 July 2014

Role of tryptophan residues of Erv1: Trp95 and Trp183 are important for its folding and oxidase function

scientific article

Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions

scientific article published in August 2008

Temperature-dependent study reveals that dynamics of hydrophobic residues plays an important functional role in the mitochondrial Tim9-Tim10 complex.

scientific article published on 17 November 2011

List of works by Jiayun Pang

Atomistic insight into the origin of the temperature-dependence of kinetic isotope effects and H-tunnelling in enzyme systems is revealed through combined experimental studies and biomolecular simulation.

Barrier compression enhances an enzymatic hydrogen-transfer reaction.

Deep tunneling dominates the biologically important hydride transfer reaction from NADH to FMN in morphinone reductase

Drug-polymer intermolecular interactions in hot-melt extruded solid dispersions.

Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction

Hydride transfer reaction catalyzed by hyperthermophilic dihydrofolate reductase is dominated by quantum mechanical tunneling and is promoted by both inter- and intramonomeric correlated motions.

Large-Scale Domain Conformational Change Is Coupled to the Activation of the Co–C Bond in the B12-Dependent Enzyme Ornithine 4,5-Aminomutase: A Computational Study

Molecular Modeling as a Predictive Tool for the Development of Solid Dispersions

Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms

New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study.

Parallel pathways and free-energy landscapes for enzymatic hydride transfer probed by hydrostatic pressure

Protein motions during catalysis by dihydrofolate reductases.

Quantum Mechanics/Molecular Mechanics Studies on the Mechanism of Action of Cofactor Pyridoxal 5′-Phosphate in Ornithine 4,5-Aminomutase

Role of tryptophan residues of Erv1: Trp95 and Trp183 are important for its folding and oxidase function

Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions

Temperature-dependent study reveals that dynamics of hydrophobic residues plays an important functional role in the mitochondrial Tim9-Tim10 complex.