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51

Materials properties of clay nanocomposites: onset of negative Poisson ratio in large-scale molecular dynamics simulation

Suter, James L., Coveney, Peter V.

Journal:

Year:

2009

Language:

english

File:

PDF, 1.10 MB

english, 2009

52

Molecular design and testing of organophosphonates for inhibition of crystallisation of ettringite and cement hydration

Coveney, Peter V., Davey, Roger J., Griffin, Jonathan L. W., Griffin, Jonathan L. W., Whiting, Andrew

Journal:

Chemical Communications

Year:

1998

Language:

english

File:

PDF, 49 KB

english, 1998

53

Sequence Selection during Copolymerization

Wattis, Jonathan A. D., Coveney, Peter V.

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 373 KB

english, 2007

54

Regulation of JAK2 Activation by Janus Homology 2: Evidence from Molecular Dynamics Simulations

Wan, Shunzhou, Coveney, Peter V.

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 667 KB

english, 2012

55

ChemInform Abstract: Theory, Modelling and Simulation in Origins of Life Studies

Peter V. Coveney, Jacob B. Swadling, Jonathan A. D. Wattis, H. Christopher Greenwell

Journal:

Year:

2012

File:

PDF, 25 KB

2012

56

From base pair to bedside: molecular simulation and the translation of genomics to personalized medicine

David W. Wright, Shunzhou Wan, Nour Shublaq, Stefan J. Zasada, Peter V. Coveney

Journal:

Wiley Interdisciplinary Reviews: Systems Biology and Medicine

Year:

2012

Language:

english

File:

PDF, 401 KB

english, 2012

57

Stability of free and mineral-protected nucleic acids: Implications for the RNA world

Jacob B. Swadling, Peter V. Coveney, H. Christopher Greenwell

Journal:

Geochimica et Cosmochimica Acta

Year:

2012

Language:

english

File:

PDF, 3.62 MB

english, 2012

58

Automated Molecular Simulation Based Binding Affinity Calculator for Ligand-Bound HIV-1 Proteases

Sadiq, S. Kashif, Wright, David, Watson, Simon J., Zasada, Stefan J., Stoica, Ileana, Coveney, Peter V.

Journal:

Journal of Chemical Information and Modeling

Year:

2008

Language:

english

File:

PDF, 1.14 MB

english, 2008

59

Rapid and Accurate Prediction of Binding Free Energies for Saquinavir-Bound HIV-1 Proteases

Stoica, Ileana, Sadiq, S. Kashif, Coveney, Peter V.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 2.44 MB

english, 2008

60

Thumbs Down for HIV: Domain Level Rearrangements Do Occur in the NNRTI-Bound HIV-1 Reverse Transcriptase

Wright, David W., Sadiq, S. Kashif, De Fabritiis, Gianni, Coveney, Peter V.

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 1.50 MB

english, 2012

61

Thumbs Down: Subdomain Rearrangements in the Drug Bound HIV-1 Reverse Transcriptase

Wright, David W., Sadiq, S. Kashif, Coveney, Peter V.

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 35 KB

english, 2012

62

IMENSE: An e-infrastructure environment for patient specific multiscale data integration, modelling and clinical treatment

Zasada, Stefan J., Wang, Tao, Haidar, Ali, Liu, Enjie, Graf, Norbert, Clapworthy, Gordon, Manos, Steven, Coveney, Peter V.

Journal:

Journal of Computational Science

Year:

2012

Language:

english

File:

PDF, 1.31 MB

english, 2012

63

Exciting Times in Computational Science

Nour Shublaq, Stefan Zasada, Peter Coveney

Journal:

Journal of Computational Science

Year:

2011

Language:

english

File:

PDF, 98 KB

english, 2011

64

A Computational Protocol for the Integration of the Monotopic Protein Prostaglandin H2 Synthase into a Phospholipid Bilayer

Fowler, Philip W., Coveney, Peter V.

Journal:

Biophysical Journal

Year:

2006

Language:

english

File:

PDF, 694 KB

english, 2006

65

Protein Structure Prediction as a Hard Optimization Problem: The Genetic Algorithm Approach

Khimasia, Mehul M., Coveney, Peter V.

Journal:

Molecular Simulation

Year:

1997

Language:

english

File:

PDF, 1.07 MB

english, 1997

66

Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of Multidrug-Resistant HIV-1 Proteases

Sadiq, S. Kashif, Wright, David W., Kenway, Owain A., Coveney, Peter V.

Journal:

Journal of Chemical Information and Modeling

Year:

2010

Language:

english

File:

PDF, 3.12 MB

english, 2010

67

Theory, modelling and simulation in origins of life studies

Coveney, Peter V., Swadling, Jacob B., Wattis, Jonathan A. D., Greenwell, H. Christopher

Journal:

Chemical Society Reviews

Year:

2012

Language:

english

File:

PDF, 2.64 MB

english, 2012

68

Modelling biological complexity: a physical scientist's perspective

Coveney, Peter V., Fowler, Philip W.

Journal:

Journal of The Royal Society Interface

Year:

2005

Language:

english

File:

PDF, 358 KB

english, 2005

69

Chirality and domain growth in the gyroid mesophase

Chin, Jonathan, Coveney, Peter V.

Journal:

Proceedings Mathematical Physical & Engineering Sciences

Year:

2006

Language:

english

File:

PDF, 1015 KB

english, 2006

70

Recent advances in large-scale atomistic and coarse-grained molecular dynamics simulation of clay minerals

Suter, James L., Anderson, Richard L., Christopher Greenwell, H., Coveney, Peter V.

Journal:

Journal of Materials Chemistry

Year:

2009

Language:

english

File:

PDF, 1.30 MB

english, 2009

71

Clay Minerals Mediate Folding and Regioselective Interactions of RNA: A Large-Scale Atomistic Simulation Study

Swadling, Jacob B., Coveney, Peter V., Greenwell, H. Christopher

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 5.87 MB

english, 2010

72

Novel Approaches to Cross-linking High Molecular Weight Polysaccharides: Application to Guar-based Hydraulic Fracturing Fluids

Coveney, Peter V., Silva, Harshani de, Gomtsyan, Arthur, Whiting, Andrew, Boek, Edo S.

Journal:

Molecular Simulation

Year:

2000

Language:

english

File:

PDF, 1.85 MB

english, 2000

73

Molecular Dynamics Simulation of Cationic and Anionic Clays Containing Amino Acids

Newman, Steven P., Di Cristina, Tiziana, Coveney, Peter V., Jones, William

Journal:

Year:

2002

Language:

english

File:

PDF, 277 KB

english, 2002

74

Use of Magnetic Resonance Imaging in Detection of Breast Cancer Recurrence: A Systematic Review

Quinn, Edel Marie, Coveney, Andrew Peter, Redmond, Henry Paul

Journal:

Annals of Surgical Oncology

Year:

2012

Language:

english

File:

PDF, 446 KB

english, 2012

75

Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations

Wright, David W., Coveney, Peter V.

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 4.62 MB

english, 2011

76

Lattice Molecular Dynamics

Hoffman, Mark B., Coveney, Peter V.

Journal:

Molecular Simulation

Year:

2001

Language:

english

File:

PDF, 607 KB

english, 2001

77

Rheology of cubic blue phases

Henrich, Oliver, Stratford, Kevin, Coveney, Peter V., Cates, Michael E., Marenduzzo, Davide

Journal:

Year:

2013

Language:

english

File:

PDF, 5.46 MB

english, 2013

78

Lattice-Boltzmann model for interacting amphiphilic fluids

Nekovee, Maziar, Coveney, Peter V., Chen, Hudong, Boghosian, Bruce M.

Journal:

Physical Review E

Year:

2000

Language:

english

File:

PDF, 1.46 MB

english, 2000

79

Influence of Surface Chemistry and Charge on Mineral–RNA Interactions

Swadling, Jacob B., Suter, James L., Greenwell, H. Christopher, Coveney, Peter V.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.68 MB

english, 2013

80

Hybrid method coupling fluctuating hydrodynamics and molecular dynamics for the simulation of macromolecules

Giupponi, G., De Fabritiis, G., Coveney, Peter V.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 382 KB

english, 2007

81

Molecular modelling of the mechanism of action of phosphonate retarders on hydrating cements

Coveney, Peter V., Humphries, William

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1996

Language:

english

File:

PDF, 2.41 MB

english, 1996

82

Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants

Maillet, J.-B., Lachet, V., Coveney, Peter V.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 798 KB

english, 1999

83

Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors

Wright, David W., Hall, Benjamin A., Kenway, Owain A., Jha, Shantenu, Coveney, Peter V.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 2.44 MB

english, 2014

84

Choice of boundary condition for lattice-Boltzmann simulation of moderate-Reynolds-number flow in complex domains

Nash, Rupert W., Carver, Hywel B., Bernabeu, Miguel O., Hetherington, James, Groen, Derek, Krüger, Timm, Coveney, Peter V.

Journal:

Physical Review E

Year:

2014

Language:

english

File:

PDF, 3.17 MB

english, 2014

85

Flexible composition and execution of large scale applications on distributed e-infrastructures

Zasada, Stefan J., Chang, David C.W., Haidar, Ali N., Coveney, Peter V.

Journal:

Journal of Computational Science

Year:

2014

Language:

english

File:

PDF, 1.50 MB

english, 2014

86

Disentangling Steric and Electrostatic Factors in Nanoscale Transport through Confined Space

Buchsbaum, Steven F., Mitchell, Nick, Martin, Hugh, Wiggin, Matt, Marziali, Andre, Coveney, Peter V., Siwy, Zuzanna, Howorka, Stefan

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 75 KB

english, 2014

87

Rapid and Accurate Binding Free Energy Prediction for Inhibitor-Bound HIV-1 Enzymes

Coveney, Peter V., Wright, David W., Sadiq, S. Kashif

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 35 KB

english, 2010

88

Conformational Effects on the pro-S Hydrogen Abstraction Reaction in Cyclooxygenase-1: An Integrated QM/MM and MD Study

Christov, Christo Z., Lodola, Alessio, Karabencheva-Christova, Tatyana G., Wan, Shunzhou, Coveney, Peter V., Mulholland, Adrian J.

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 359 KB

english, 2013

89

Support for Multiscale Simulations with Molecular Dynamics

Rycerz, Katarzyna, Ciepiela, Eryk, Dyk, Grzegorz, Groen, Derek, Gubala, Tomasz, Harezlak, Daniel, Pawlik, Maciej, Suter, James, Zasada, Stefan, Coveney, Peter, Bubak, Marian

Journal:

Procedia Computer Science

Year:

2013

Language:

english

File:

PDF, 2.06 MB

english, 2013

90

Analysing and modelling the performance of the HemeLB lattice-Boltzmann simulation environment

Groen, Derek, Hetherington, James, Carver, Hywel B., Nash, Rupert W., Bernabeu, Miguel O., Coveney, Peter V.

Journal:

Journal of Computational Science

Year:

2013

Language:

english

File:

PDF, 1.33 MB

english, 2013

91

Is There a 'Canonical' Non-Equilibrium Ensemble?

Oliver Penrose and Peter V. Coveney

Journal:

Proceedings of the Royal Society Mathematical and Physical Sciences (1990-1995)

Year:

1994

Language:

english

File:

PDF, 339 KB

english, 1994

92

On Exponential Long-Time Evolution in Statistical Mechanics

Allan K. Evans and Peter V. Coveney

Journal:

Proceedings of the Royal Society Mathematical and Physical Sciences (1990-1995)

Year:

1995

Language:

english

File:

PDF, 509 KB

english, 1995

93

Analysis of a Generalized Becker-Doring Model of Self-Reproducing Micelles

Peter V. Coveney and Jonathan A. D. Wattis

Journal:

Proceedings Mathematical Physical & Engineering Sciences

Year:

1996

Language:

english

File:

PDF, 558 KB

english, 1996

94

A Lattice-Gas Model of Microemulsions

Bruce M. Boghosian, Peter V. Coveney and Andrew N. Emerton

Journal:

Proceedings Mathematical Physical & Engineering Sciences

Year:

1996

Language:

english

File:

PDF, 4.17 MB

english, 1996

95

A Ternary Lattice Boltzmann Model for Amphiphilic Fluids

Hudong Chen, Bruce M. Boghosian, Peter V. Coveney and Maziar Nekovee

Journal:

Proceedings Mathematical Physical & Engineering Sciences

Year:

2000

Language:

english

File:

PDF, 1.38 MB

english, 2000

96

Chirality and Domain Growth in the Gyroid Mesophase

Jonathan Chin and Peter V. Coveney

Journal:

Proceedings Mathematical Physical & Engineering Sciences

Year:

2006

Language:

english

File:

PDF, 4.66 MB

english, 2006

97

Entropic Lattice Boltzmann Methods

Bruce M. Boghosian, Jeffrey Yepez, Peter V. Coveney, Alexander Wager and Alexander Wagner

Journal:

Proceedings Mathematical Physical & Engineering Sciences

Year:

2001

Language:

english

File:

PDF, 1.25 MB

english, 2001

98

Design and synthesis of macrocyclic ligands for specific interaction with crystalline ettringite and demonstration of a viable mechanism for the setting of cement

Griffin, Jonathan L. W., Coveney, Peter V., Whiting, Andrew, Davey, Roger

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1999

Language:

english

File:

PDF, 1.05 MB

english, 1999

99

Intercalation and in situ polymerization of poly(alkylene oxide) derivatives within M+-montmorillonite (M = Li, Na, K)

Greenwell, H. Chris, Bowden, Allen A., Chen, Biqiong, Boulet, Pascal, Evans, Julian R. G., Coveney, Peter V., Whiting, Andrew

Journal:

Journal of Materials Chemistry

Year:

2006

Language:

english

File:

PDF, 470 KB

english, 2006

100

Molecular Dynamics Simulations of The Swelling of Terephthalate Containing Anionic Clays

Williams, Samuel J., Coveney, Peter V., Jones, William

Journal:

Molecular Simulation

Year:

1999

Language:

english

File:

PDF, 560 KB

english, 1999