Items where Author is "Allemann, Rudolf K."

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catalysis DHFR dihydrofolate reductase dimer enzymes folding H transfer hydrogen transfer hyperthermophile kinetic isotope effects MD simulations protein dynamics protein motions secondary kinetic isotope effect tunnelling

Number of items: 17.

catalysis

Allemann, Rudolf K., Evans, Rhiannon M., Tey, Lai-hock, Maglia, Giovanni, Pang, Jiayun ORCID: 0000-0003-0689-8440 , Rodriguez, Robert, Shrimpton, Paul J. and Swanwick, Richard S. (2006) Protein motions during catalysis by dihydrofolate reductases. Philosophical Transactions of the Royal Society B: Biological Sciences, 361 (1472). pp. 1317-1321. ISSN 0962-8436 (Print), 1471-2970 (Online) (doi:https://doi.org/10.1098/rstb.2006.1865)

DHFR

Pang, Jiayun ORCID: 0000-0003-0689-8440 and Allemann, Rudolf K. (2006) Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR. Physical Chemistry Chemical Physics (PCCP), 9 (6). pp. 711-718. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/B611210B)

Pang, Jiayun ORCID: 0000-0003-0689-8440 , Pu, Jingzhi, Gao, Jiali, Truhlar, Donald G. and Allemann, Rudolf K. (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. Journal of the American Chemical Society, 128 (24). pp. 8015-8023. ISSN 0002-7863 (Print), 1520-5126 (Online) (doi:https://doi.org/10.1021/ja061585l)

dihydrofolate reductase

Hay, Sam, Pang, Jiayun ORCID: 0000-0003-0689-8440 , Monaghan, Phillip J., Wang, Xi, Evans, Rhiannon M., Sutcliffe, Michael J., Allemann, Rudolf K. and Scrutton, Nigel S. (2008) Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions. ChemPhysChem, 9 (11). pp. 1536-1539. ISSN 1439-4235 (Print), 1439-7641 (Online) (doi:https://doi.org/10.1002/cphc.200800291)

dimer

Pang, Jiayun ORCID: 0000-0003-0689-8440 and Allemann, Rudolf K. (2006) Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR. Physical Chemistry Chemical Physics (PCCP), 9 (6). pp. 711-718. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/B611210B)

enzymes

Allemann, Rudolf K., Evans, Rhiannon M., Tey, Lai-hock, Maglia, Giovanni, Pang, Jiayun ORCID: 0000-0003-0689-8440 , Rodriguez, Robert, Shrimpton, Paul J. and Swanwick, Richard S. (2006) Protein motions during catalysis by dihydrofolate reductases. Philosophical Transactions of the Royal Society B: Biological Sciences, 361 (1472). pp. 1317-1321. ISSN 0962-8436 (Print), 1471-2970 (Online) (doi:https://doi.org/10.1098/rstb.2006.1865)

folding

Pang, Jiayun ORCID: 0000-0003-0689-8440 and Allemann, Rudolf K. (2006) Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR. Physical Chemistry Chemical Physics (PCCP), 9 (6). pp. 711-718. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/B611210B)

H transfer

Pang, Jiayun ORCID: 0000-0003-0689-8440 , Pu, Jingzhi, Gao, Jiali, Truhlar, Donald G. and Allemann, Rudolf K. (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. Journal of the American Chemical Society, 128 (24). pp. 8015-8023. ISSN 0002-7863 (Print), 1520-5126 (Online) (doi:https://doi.org/10.1021/ja061585l)

hydrogen transfer

Hay, Sam, Pang, Jiayun ORCID: 0000-0003-0689-8440 , Monaghan, Phillip J., Wang, Xi, Evans, Rhiannon M., Sutcliffe, Michael J., Allemann, Rudolf K. and Scrutton, Nigel S. (2008) Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions. ChemPhysChem, 9 (11). pp. 1536-1539. ISSN 1439-4235 (Print), 1439-7641 (Online) (doi:https://doi.org/10.1002/cphc.200800291)

Allemann, Rudolf K., Evans, Rhiannon M., Tey, Lai-hock, Maglia, Giovanni, Pang, Jiayun ORCID: 0000-0003-0689-8440 , Rodriguez, Robert, Shrimpton, Paul J. and Swanwick, Richard S. (2006) Protein motions during catalysis by dihydrofolate reductases. Philosophical Transactions of the Royal Society B: Biological Sciences, 361 (1472). pp. 1317-1321. ISSN 0962-8436 (Print), 1471-2970 (Online) (doi:https://doi.org/10.1098/rstb.2006.1865)

hyperthermophile

Pang, Jiayun ORCID: 0000-0003-0689-8440 and Allemann, Rudolf K. (2006) Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR. Physical Chemistry Chemical Physics (PCCP), 9 (6). pp. 711-718. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/B611210B)

kinetic isotope effects

Allemann, Rudolf K., Evans, Rhiannon M., Tey, Lai-hock, Maglia, Giovanni, Pang, Jiayun ORCID: 0000-0003-0689-8440 , Rodriguez, Robert, Shrimpton, Paul J. and Swanwick, Richard S. (2006) Protein motions during catalysis by dihydrofolate reductases. Philosophical Transactions of the Royal Society B: Biological Sciences, 361 (1472). pp. 1317-1321. ISSN 0962-8436 (Print), 1471-2970 (Online) (doi:https://doi.org/10.1098/rstb.2006.1865)

MD simulations

Pang, Jiayun ORCID: 0000-0003-0689-8440 and Allemann, Rudolf K. (2006) Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR. Physical Chemistry Chemical Physics (PCCP), 9 (6). pp. 711-718. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/B611210B)

protein dynamics

Allemann, Rudolf K., Evans, Rhiannon M., Tey, Lai-hock, Maglia, Giovanni, Pang, Jiayun ORCID: 0000-0003-0689-8440 , Rodriguez, Robert, Shrimpton, Paul J. and Swanwick, Richard S. (2006) Protein motions during catalysis by dihydrofolate reductases. Philosophical Transactions of the Royal Society B: Biological Sciences, 361 (1472). pp. 1317-1321. ISSN 0962-8436 (Print), 1471-2970 (Online) (doi:https://doi.org/10.1098/rstb.2006.1865)

protein motions

Pang, Jiayun ORCID: 0000-0003-0689-8440 , Pu, Jingzhi, Gao, Jiali, Truhlar, Donald G. and Allemann, Rudolf K. (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. Journal of the American Chemical Society, 128 (24). pp. 8015-8023. ISSN 0002-7863 (Print), 1520-5126 (Online) (doi:https://doi.org/10.1021/ja061585l)

secondary kinetic isotope effect

Hay, Sam, Pang, Jiayun ORCID: 0000-0003-0689-8440 , Monaghan, Phillip J., Wang, Xi, Evans, Rhiannon M., Sutcliffe, Michael J., Allemann, Rudolf K. and Scrutton, Nigel S. (2008) Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions. ChemPhysChem, 9 (11). pp. 1536-1539. ISSN 1439-4235 (Print), 1439-7641 (Online) (doi:https://doi.org/10.1002/cphc.200800291)

tunnelling

Pang, Jiayun ORCID: 0000-0003-0689-8440 , Pu, Jingzhi, Gao, Jiali, Truhlar, Donald G. and Allemann, Rudolf K. (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. Journal of the American Chemical Society, 128 (24). pp. 8015-8023. ISSN 0002-7863 (Print), 1520-5126 (Online) (doi:https://doi.org/10.1021/ja061585l)

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