| 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 | 200 | 2013 |
| 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 | 100 | 2009 |
| 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 | 97 | 2006 |
| 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 | 92 | 2008 |
| 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 | 73 | 2015 |
| 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 | 72 | 2009 |
| 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 | 71 | 2007 |
| 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 | 47 | 2012 |
| 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 | 39 | 2006 |
| Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR J Pang, RK Allemann Physical Chemistry Chemical Physics 9 (6), 711-718, 2007 | 37 | 2007 |
| 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 | 27 | 2009 |
| 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 | 22 | 2011 |
| 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 | 22 | 2008 |
| 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 | 22 | 2008 |
| A half-site multimeric enzyme achieves its cooperativity without conformational changes M Vivoli, J Pang, NJ Harmer Scientific Reports 7 (1), 16529, 2017 | 20 | 2017 |
| 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 | 18 | 2016 |
| Using natural language processing (NLP)-inspired molecular embedding approach to predict Hansen solubility parameters J Pang, AWR Pine, A Sulemana Digital Discovery 3 (1), 145-154, 2024 | 15 | 2024 |
| 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 | 12 | 2014 |
| 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 | 10 | 2010 |
| 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 | 8 | 2010 |
