2008 |
17 | EE | Robert Geldhill,
Sarah Kent,
Andrew J. Milsted,
Richard Chapman,
Jonathan W. Essex,
Jeremy G. Frey:
e-Malaria: the schools Malaria project.
Concurrency and Computation: Practice and Experience 20(3): 225-238 (2008) |
2006 |
16 | EE | Jeremy G. Frey,
David De Roure,
Kieron R. Taylor,
Jonathan W. Essex,
Hugo R. Mills,
Ed Zaluska:
CombeChem: A Case Study in Provenance and Annotation Using the Semantic Web.
IPAW 2006: 270-277 |
15 | EE | Muan Hong Ng,
Steven Johnston,
Bing Wu,
Stuart E. Murdock,
Kaihsu Tai,
Hans Fangohr,
Simon J. Cox,
Jonathan W. Essex,
Mark S. P. Sansom,
Paul Jeffreys:
BioSimGrid: Grid-enabled biomolecular simulation data storage and analysis.
Future Generation Comp. Syst. 22(6): 657-664 (2006) |
14 | EE | Kieron R. Taylor,
Jonathan W. Essex,
Jeremy G. Frey,
Hugo R. Mills,
Gareth V. Hughes,
Ed Zaluska:
The Semantic Grid and chemistry: Experiences with CombeChem.
J. Web Sem. 4(2): 84-101 (2006) |
13 | EE | Kieron R. Taylor,
Robert J. Gledhill,
Jonathan W. Essex,
Jeremy G. Frey,
Stephen W. Harris,
David De Roure:
Bringing Chemical Data onto the Semantic Web.
Journal of Chemical Information and Modeling 46(3): 939-952 (2006) |
12 | EE | Robert J. Gledhill,
Sarah Kent,
Brian Hudson,
W. Graham Richards,
Jonathan W. Essex,
Jeremy G. Frey:
A Computer-Aided Drug Discovery System for Chemistry Teaching.
Journal of Chemical Information and Modeling 46(3): 960-970 (2006) |
2005 |
11 | EE | Kieron R. Taylor,
Robert J. Gledhill,
Jonathan W. Essex,
Jeremy G. Frey,
Stephen W. Harris,
David De Roure:
A semantic datagrid for combinatorial chemistry.
GRID 2005: 148-155 |
10 | EE | Ralph A. Mansson,
Jeremy G. Frey,
Jonathan W. Essex,
Alan H. Welsh:
Prediction of Properties from Simulations: A Re-examination with Modern Statistical Methods.
Journal of Chemical Information and Modeling 45(6): 1791-1803 (2005) |
2004 |
9 | EE | Bing Wu,
Matthew J. Dovey,
Muan Hong Ng,
Kaihsu Tai,
Stuart E. Murdock,
Paul Jeffreys,
Simon J. Cox,
Jonathan W. Essex,
Mark S. P. Sansom:
A Web / Grid Portal Implementation of BioSimGrid: A Biomolecular Simulation Database.
ITCC (2) 2004: 50- |
2003 |
8 | EE | Richard D. Taylor,
Philip J. Jewsbury,
Jonathan W. Essex:
FDS: Flexible ligand and receptor docking with a continuum solvent model and soft-core energy function.
Journal of Computational Chemistry 24(13): 1637-1656 (2003) |
2002 |
7 | EE | Richard D. Taylor,
Philip J. Jewsbury,
Jonathan W. Essex:
A review of protein-small molecule docking methods.
Journal of Computer-Aided Molecular Design 16(3): 151-166 (2002) |
2001 |
6 | EE | Lewis Whitehead,
Colin M. Edge,
Jonathan W. Essex:
Molecular dynamics simulation of the hydrocarbon region of a biomembrane using a reduced representation model.
Journal of Computational Chemistry 22(14): 1622-1633 (2001) |
5 | EE | Christopher J. Woods,
Michael A. King,
Jonathan W. Essex:
The configurational dependence of binding free energies: A Poisson-Boltzmann study of Neuraminidase inhibitors.
Journal of Computer-Aided Molecular Design 15(2): 129-144 (2001) |
1999 |
4 | EE | Richard H. Henchman,
Jonathan W. Essex:
Generation of OPLS-like charges from molecular electrostatic potential using restraints.
Journal of Computational Chemistry 20(5): 483-498 (1999) |
3 | EE | Richard H. Henchman,
Jonathan W. Essex:
Free energies of hydration using restrained electrostatic potential derived charges via free energy perturbations and linear response.
Journal of Computational Chemistry 20(5): 499-510 (1999) |
1995 |
2 | | Daniel L. Severance,
Jonathan W. Essex,
William L. Jorgensen:
Generalized Alteration of Structure and Parameters: A New Method for Free- Energy Perturbations in Systems Containing Flexible Degrees of Freedom.
Journal of Computational Chemistry 16(3): 311-327 (1995) |
1 | | Jonathan W. Essex,
William L. Jorgensen:
An Empirical Boundary Potential for Water Droplet Simulations.
Journal of Computational Chemistry 16(8): 951-972 (1995) |