Jill E. Gready - Publications, H-index & Citations

Jill E. Gready

Australian National University

36H指数

170论文数

6.7K被引数

收录论文 35

发表时间

Response: Commentary: Directions for Optimization of Photosynthetic Carbon Fixation: RuBisCO's Efficiency May Not Be So Constrained After All

FRONTIERS IN PLANT SCIENCE

IF4.8

2019-11-22

OAAI

Cummins, Peter L.; Kannappan, Babu; Gready, Jill E.

Revised mechanism of carboxylation of ribulose-1,5-biphosphate by rubisco from large scale quantum chemical calculations

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2018-05-14

PREAI

Cummins, Peter L.; Kannappan, Babu; Gready, Jill E.

Directions for Optimization of Photosynthetic Carbon Fixation: RuBisCO's Efficiency May Not Be So Constrained After All

FRONTIERS IN PLANT SCIENCE

IF4.8

2018-03-01

OAAI

Cummins, Peter L.; Kannappan, Babu; Gready, Jill E.

Optimization of Parameters for Molecular Dynamics Simulation Using Smooth Particle-Mesh Ewald in GROMACS 4.5

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2011-04-05

238

OAAI

Abraham, Mark J.; Gready, Jill E.

Redefinition of Rubisco Carboxylase Reaction Reveals Origin of Water for Hydration and New Roles for Active-Site Residues

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2008-10-15

PREAI

Kannappan, Babu; Gready, Jill E.

Ensuring mixing efficiency of replica-exchange molecular dynamics simulations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2008-05-31

PREAI

Abraham, Mark J.; Gready, Jill E.

Calculation of a complete enzymic reaction surface: Reaction and activation free energies for hydride-ion transfer in dihydrofolate reductase

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2007-03-29

PREAI

Cummins, Peter L.; Rostov, Ivan V.; Gready, Jill E.

Integron-sequestered dihydrofolate reductase: a recently redeployed enzyme

TRENDS IN MICROBIOLOGY

IF14.9

2006-05-01

PREAI

Alonso, Hernan; Gready, Jill E.

Combining docking and molecular dynamic simulations in drug design

MEDICINAL RESEARCH REVIEWS

IF11.6

2006-01-01

598

PREAI

Alonso, Hernan; Bliznyuk, Andrey A.; Gready, Jill E.

The C-type lectin-like domain superfamily C型凝集素样结构域超家族

FEBS JOURNAL

IF4.2

2005-12-06

1.3K

PREAI

Zelensky, AN; Gready, JE

Multiple ligand-binding modes in bacterial R67 dihydrofolate reductase

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2005-03-01

PREAI

Alonso, H; Gillies, MB; Cummins, PL; Bliznyuk, AA; Gready, JE

Computational methods for the study of enzymic reaction mechanisms III: A perturbation plus QM/MM approach for calculating relative free energies of protonation 研究酶反应机理的计算方法III: 计算质子化相对自由能的扰动加QM/MM方法

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2005-02-23

PREAI

Cummins, PL; Gready, JE

Evolution of vertebrate genes related to prion and Shadoo proteins - Clues from comparative genomic analysis

MOLECULAR BIOLOGY AND EVOLUTION

IF5.3

2004-09-01

OAAI

Premzl, M; Gready, JE; Jermiin, LS; Simonic, T; Graves, JAM

31P MAS-NMR of human erythrocytes:: Independence of cell volume from angular velocity

MAGNETIC RESONANCE IN MEDICINE

IF3

2004-08-23

PREAI

Kuchel, PW; Bubb, WA; Ramadan, S; Chapman, BE; Philp, DJ; Coen, M; Gready, JE; Harvey, PJ; McLean, AJ; Hook, J

C-type lectin-like domains in Fugu rubripes -: art. no. 51

BMC GENOMICS

IF3.7

2004-08-01

OAAI

Zelensky, AN; Gready, JE

Conformation of prion protein repeat peptides probed by FRET measurements and molecular dynamics simulations

BIOPHYSICAL JOURNAL

IF3.1

2004-04-01

OAAI

Gustiananda, M; Liggins, JR; Cummins, PL; Gready, JE

Synthesis of quaternised 2-aminopyrimido[4,5-d]pyrimidin-4(3H)-ones and their biological activity with dihydrofolate reductase

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

IF5.9

2003-07-01

PREAI

Gebauer, MG; McKinlay, C; Gready, JE

Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2002-08-13

PREAI

Titmuss, SJ; Cummins, PL; Rendell, AP; Bliznyuk, AA; Gready, JE

NMR-STUDIES OF BOND ORDER IN DISTORTED AROMATIC SYSTEMS

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

PREAI

GREADY, JE; HAMBLEY, TW; KAKIUCHI, K; KOBIRO, K; STERNHELL, S; TANSEY, CW; TOBE, Y

MOLECULAR-DYNAMICS FREE-ENERGY PERTURBATION STUDY ON THE RELATIVE AFFINITIES OF THE BINDING OF REDUCED AND OXIDIZED NADP TO DIHYDROFOLATE-REDUCTASE

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

PREAI

CUMMINS, PL; RAMNARAYAN, K; SINGH, UC; GREADY, JE

研究方向