Personal information

Activities

Employment (1)

University of Greenwich: London, London, GB

Associate Professor (School of Science)
Employment
Source: Self-asserted source
Jiayun Pang

Education and qualifications (1)

University of Birmingham: Birmingham, Birmingham, GB

PhD (School of Chemistry)
Education
Source: Self-asserted source
Jiayun Pang

Works (25)

Specialising and analysing instruction-tuned and byte-level language models for organic reaction prediction

Faraday Discussions
2025 | Journal article
Contributors: Jiayun Pang; Ivan Vulić
Source: check_circle
Crossref

Using natural language processing (NLP)-inspired molecular embedding approach to predict Hansen solubility parameters

Digital Discovery
2024 | Journal article
Contributors: Jiayun Pang; Alexander W. R. Pine; Abdulai Sulemana
Source: check_circle
Crossref

Manipulations of phenylnorbornyl palladium species for multicomponent construction of a bridged polycyclic privileged scaffold

Communications Chemistry
2022-10-29 | Journal article | Author
Part of ISSN: 2399-3669
Contributors: Lina Yin; Ting Guan; Jie Cheng; Dongchao Pan; Jinyang Lu; Jiahui Huang; Jiaqi Wu; Xiaoli Chen; Taiyun You; Xuting Huo et al.
Source: Self-asserted source
Jiayun Pang

A half-site multimeric enzyme achieves its cooperativity without conformational changes

Scientific Reports
2017-12 | Journal article
Part of ISSN: 2045-2322
Contributors: Jiayun Pang; Mirella Vivoli; Jiayun Pang; N.J.Harmer
Source: Self-asserted source
Jiayun Pang

New insights into the molecular mechanism of methanol-induced inactivation of<i>Thermomyces lanuginosus</i>lipase: a molecular dynamics simulation study

Molecular Simulation
2016-03-23 | Journal article
Part of ISSN: 0892-7022
Part of ISSN: 1029-0435
Contributors: Jiayun Pang; Xiaoxue Tong; Peter Kamp Busk; Lene Lange; Jiayun Pang
Source: Self-asserted source
Jiayun Pang

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

2015-07 | Journal article
Contributors: Wang Q; Ang SK; Ceh-Pavia E; Pang J; Lu H
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central

Molecular modeling as a predictive tool for the development of solid dispersions.

2015-04 | Journal article
Contributors: Maniruzzaman M; Pang J; Morgan DJ; Douroumis D
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central

Quantum mechanics/molecular mechanics studies on the mechanism of action of cofactor pyridoxal 5'-phosphate in ornithine 4,5-aminomutase.

2014-09 | Journal article
Contributors: Pang J; Scrutton NS; Sutcliffe MJ
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central

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

2013-02 | Journal article
Contributors: Maniruzzaman M; Morgan DJ; Mendham AP; Pang J; Snowden MJ; Douroumis D
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

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.

2012-02 | Journal article
Contributors: Pang J; Li X; Morokuma K; Scrutton NS; Sutcliffe MJ
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central

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

2012-02 | Journal article
Contributors: Ivanova E; Pang J; Jowitt TA; Yan G; Warwicker J; Sutcliffe MJ; Lu H
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

Reaction of vascular adhesion protein-1 (VAP-1) with primary amines: mechanistic insights from isotope effects and quantitative structure-activity relationships.

2011-08 | Journal article
Contributors: Heuts DP; Gummadova JO; Pang J; Rigby SE; Scrutton NS
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

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

2010-05 | Journal article
Contributors: Pang J; Scrutton NS; de Visser SP; Sutcliffe MJ
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

Assignment of the vibrational spectra of enzyme-bound tryptophan tryptophyl quinones using a combined QM/MM approach.

2010-01 | Journal article
Contributors: Pang J; Scrutton NS; de Visser SP; Sutcliffe MJ
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

Barrier compression enhances an enzymatic hydrogen-transfer reaction.

2009 | Journal article
Contributors: Hay S; Pudney CR; McGrory TA; Pang J; Sutcliffe MJ; Scrutton NS
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

Computational Simulations of Tunnelling Reactions in Enzymes

Quantum Tunnelling in Enzyme-Catalysed Reactions
2009 | Book
WOSUID:

BCI:BCI200900479885

Contributors: Pang, Jiayun; Scrutton, Nigel S.; Sutcliffe, Michael J.; Allemann, RK
Source: Self-asserted source
Jiayun Pang via ResearcherID

Parallel Pathways and Free-Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure

Chembiochem
2009 | Journal article
WOSUID:

WOS:000266561500019

Contributors: Pudney, Christopher R.; McGrory, Tom; Lafite, Pierre; Pang, Jiayun; Hay, Sam; Leys, David; Sutcliffe, Michael J.; Scrutton, Nigel S.
Source: Self-asserted source
Jiayun Pang via ResearcherID

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

2009-12 | Journal article
Contributors: Pudney CR; Hay S; Levy C; Pang J; Sutcliffe MJ; Leys D; Scrutton NS
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

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

2008-08 | Journal article
Contributors: Hay S; Pang J; Monaghan PJ; Wang X; Evans RM; Sutcliffe MJ; Allemann RK; Scrutton NS
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

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

2008-06 | Journal article
Contributors: Pang J; Hay S; Scrutton NS; Sutcliffe MJ
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

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.

2008-02 | Journal article
Contributors: Hay S; Pudney C; Hothi P; Johannissen LO; Masgrau L; Pang J; Leys D; Sutcliffe MJ; Scrutton NS
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

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

2007-11 | Journal article
Contributors: Pudney CR; Hay S; Pang J; Costello C; Leys D; Sutcliffe MJ; Scrutton NS
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR.

2007-02 | Journal article
Contributors: Pang J; Allemann RK
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎

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

Journal of the American Chemical Society
2006 | Journal article
WOSUID:

WOS:000238258000058

Contributors: Pang, JY; Pu, JZ; Gao, JL; Truhlar, DG; Allemann, RK
Source: Self-asserted source
Jiayun Pang via ResearcherID

Protein motions during catalysis by dihydrofolate reductases.

2006-08 | Journal article
Contributors: Allemann RK; Evans RM; Tey LH; Maglia G; Pang J; Rodriguez R; Shrimpton PJ; Swanwick RS
Source: Self-asserted source
Jiayun Pang via Europe PubMed Central
grade
Preferred source (of 2)‎