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Faraday Discussions
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September 23, 2024
Specialising and analysing instruction-tuned and byte-level language models for organic reaction prediction
Jiayun Pang, Ivan Vulić
Physical Chemistry Chemical Physics : PCCP
|
February 3, 2007
Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR
Jiayun Pang, Rudolf K Allemann
Scientific Reports
|
November 30, 2017
A half-site multimeric enzyme achieves its cooperativity without conformational changes
Mirella Vivoli, Jiayun Pang, Nicholas J Harmer
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 23, 2014
Quantum mechanics/molecular mechanics studies on the mechanism of action of cofactor pyridoxal 5'-phosphate in ornithine 4,5-aminomutase
Jiayun Pang, Nigel S Scrutton, Michael J Sutcliffe
Molecular Pharmaceutics
|
March 4, 2015
Molecular modeling as a predictive tool for the development of solid dispersions
Mohammed Maniruzzaman, Jiayun Pang, David J Morgan, et al.
Journal of Chromatography. A
|
June 24, 2019
Development of boronic acid-functionalized mesoporous silica-coated core/shell magnetic microspheres with large pores for endotoxin removal
Yibing Ji, Wei Li, Wenxian Fu, et al.
Journal of the American Chemical Society
|
May 13, 2008
Deep tunneling dominates the biologically important hydride transfer reaction from NADH to FMN in morphinone reductase
Jiayun Pang, Sam Hay, Nigel S Scrutton, et al.
Chemical Communications (Cambridge, England)
|
April 9, 2010
New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study
Jiayun Pang, Nigel S Scrutton, Sam P de Visser, et al.
Journal of the American Chemical Society
|
January 14, 2012
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
Jiayun Pang, Xin Li, Keiji Morokuma, et al.
Journal of the American Chemical Society
|
June 15, 2006
Hydride transfer reaction catalyzed by hyperthermophilic dihydrofolate reductase is dominated by quantum mechanical tunneling and is promoted by both inter- and intramonomeric correlated motions
Jiayun Pang, Jingzhi Pu, Jiali Gao, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
Faraday Discussions
|
September 23, 2024
Specialising and analysing instruction-tuned and byte-level language models for organic reaction prediction
Jiayun Pang, Ivan Vulić
Physical Chemistry Chemical Physics : PCCP
|
February 3, 2007
Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR
Jiayun Pang, Rudolf K Allemann
Scientific Reports
|
November 30, 2017
A half-site multimeric enzyme achieves its cooperativity without conformational changes
Mirella Vivoli, Jiayun Pang, Nicholas J Harmer
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 23, 2014
Quantum mechanics/molecular mechanics studies on the mechanism of action of cofactor pyridoxal 5'-phosphate in ornithine 4,5-aminomutase
Jiayun Pang, Nigel S Scrutton, Michael J Sutcliffe
Molecular Pharmaceutics
|
March 4, 2015
Molecular modeling as a predictive tool for the development of solid dispersions
Mohammed Maniruzzaman, Jiayun Pang, David J Morgan, et al.
Journal of Chromatography. A
|
June 24, 2019
Development of boronic acid-functionalized mesoporous silica-coated core/shell magnetic microspheres with large pores for endotoxin removal
Yibing Ji, Wei Li, Wenxian Fu, et al.
Journal of the American Chemical Society
|
May 13, 2008
Deep tunneling dominates the biologically important hydride transfer reaction from NADH to FMN in morphinone reductase
Jiayun Pang, Sam Hay, Nigel S Scrutton, et al.
Chemical Communications (Cambridge, England)
|
April 9, 2010
New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study
Jiayun Pang, Nigel S Scrutton, Sam P de Visser, et al.
Journal of the American Chemical Society
|
January 14, 2012
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
Jiayun Pang, Xin Li, Keiji Morokuma, et al.
Journal of the American Chemical Society
|
June 15, 2006
Hydride transfer reaction catalyzed by hyperthermophilic dihydrofolate reductase is dominated by quantum mechanical tunneling and is promoted by both inter- and intramonomeric correlated motions
Jiayun Pang, Jingzhi Pu, Jiali Gao, et al.
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of 3