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Jiayun Pang
Jiayun Pang
Associate Professor in Computational Chemistry, University of Greenwich
Bestätigte E-Mail-Adresse bei gre.ac.uk
Titel
Zitiert von
Zitiert von
Jahr
Drug–polymer intermolecular interactions in hot-melt extruded solid dispersions
M Maniruzzaman, DJ Morgan, AP Mendham, J Pang, MJ Snowden, ...
International journal of pharmaceutics 443 (1-2), 199-208, 2013
1772013
Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction
CR Pudney, S Hay, C Levy, J Pang, MJ Sutcliffe, D Leys, NS Scrutton
Journal of the American Chemical Society 131 (47), 17072-17073, 2009
932009
Hydride transfer reaction catalyzed by hyperthermophilic dihydrofolate reductase is dominated by quantum mechanical tunneling and is promoted by both inter-and intramonomeric …
J Pang, J Pu, J Gao, DG Truhlar, RK Allemann
Journal of the American Chemical Society 128 (24), 8015-8023, 2006
932006
Deep tunneling dominates the biologically important hydride transfer reaction from NADH to FMN in morphinone reductase
J Pang, S Hay, NS Scrutton, MJ Sutcliffe
Journal of the American Chemical Society 130 (22), 7092-7097, 2008
882008
Barrier compression enhances an enzymatic hydrogen‐transfer reaction
S Hay, CR Pudney, TA McGrory, J Pang, MJ Sutcliffe, NS Scrutton
Angewandte Chemie International Edition 48 (8), 1452-1454, 2009
692009
Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms
CR Pudney, S Hay, J Pang, C Costello, D Leys, MJ Sutcliffe, NS Scrutton
Journal of the American Chemical Society 129 (45), 13949-13956, 2007
632007
Molecular modeling as a predictive tool for the development of solid dispersions
M Maniruzzaman, J Pang, DJ Morgan, D Douroumis
Molecular pharmaceutics 12 (4), 1040-1049, 2015
572015
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 …
J Pang, X Li, K Morokuma, NS Scrutton, MJ Sutcliffe
Journal of the American Chemical Society 134 (4), 2367-2377, 2012
472012
Protein motions during catalysis by dihydrofolate reductases
RK Allemann, RM Evans, L Tey, G Maglia, J Pang, R Rodriguez, ...
Philosophical Transactions of the Royal Society B: Biological Sciences 361 …, 2006
382006
Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR
J Pang, RK Allemann
Physical Chemistry Chemical Physics 9 (6), 711-718, 2007
332007
Parallel pathways and free‐energy landscapes for enzymatic hydride transfer probed by hydrostatic pressure
CR Pudney, T McGrory, P Lafite, J Pang, S Hay, D Leys, MJ Sutcliffe, ...
ChemBioChem 10 (8), 1379-1384, 2009
272009
Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions
S Hay, J Pang, PJ Monaghan, X Wang, RM Evans, MJ Sutcliffe, ...
ChemPhysChem 9 (11), 1536-1540, 2008
222008
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 …
S Hay, C Pudney, P Hothi, LO Johannissen, L Masgrau, J Pang, D Leys, ...
Biochemical Society Transactions 36 (1), 16-21, 2008
212008
Reaction of vascular adhesion protein-1 (VAP-1) with primary amines: mechanistic insights from isotope effects and quantitative structure-activity relationships
DPHM Heuts, JO Gummadova, J Pang, SEJ Rigby, NS Scrutton
Journal of Biological Chemistry 286 (34), 29584-29593, 2011
182011
New insights into the molecular mechanism of methanol-induced inactivation of Thermomyces lanuginosus lipase: a molecular dynamics simulation study
X Tong, PK Busk, L Lange, J Pang
Molecular Simulation 42 (5), 434-445, 2016
172016
A half-site multimeric enzyme achieves its cooperativity without conformational changes
M Vivoli, J Pang, NJ Harmer
Scientific Reports 7 (1), 16529, 2017
142017
Quantum Mechanics/Molecular Mechanics Studies on the Mechanism of Action of Cofactor Pyridoxal 5′‐Phosphate in Ornithine 4, 5‐Aminomutase
J Pang, NS Scrutton, MJ Sutcliffe
Chemistry–A European Journal 20 (36), 11390-11401, 2014
102014
Assignment of the vibrational spectra of enzyme-bound tryptophan tryptophyl quinones using a combined QM/MM approach
J Pang, NS Scrutton, SP Visser, MJ Sutcliffe
The Journal of Physical Chemistry A 114 (2), 1212-1217, 2010
102010
New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study
J Pang, NS Scrutton, SP De Visser, MJ Sutcliffe
Chemical communications 46 (18), 3104-3106, 2010
82010
Temperature‐dependent study reveals that dynamics of hydrophobic residues plays an important functional role in the mitochondrial Tim9–Tim10 complex
E Ivanova, J Pang, TA Jowitt, G Yan, J Warwicker, MJ Sutcliffe, H Lu
Proteins: Structure, Function, and Bioinformatics 80 (2), 602-615, 2012
72012
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