Jonathan Essex
Jonathan Essex
Unknown affiliation
Verified email at soton.ac.uk
Title
Cited by
Cited by
Year
A review of protein-small molecule docking methods
RD Taylor, PJ Jewsbury, JW Essex
Journal of computer-aided molecular design 16 (3), 151-166, 2002
7952002
Permeation of small molecules through a lipid bilayer: a computer simulation study
D Bemporad, JW Essex, C Luttmann
The Journal of Physical Chemistry B 108 (15), 4875-4884, 2004
2822004
Classification of water molecules in protein binding sites
C Barillari, J Taylor, R Viner, JW Essex
Journal of the American Chemical Society 129 (9), 2577-2587, 2007
2632007
Prediction of protein–ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations
J Michel, JW Essex
Journal of computer-aided molecular design 24 (8), 639-658, 2010
2342010
The development of replica-exchange-based free-energy methods
CJ Woods, JW Essex, MA King
The Journal of Physical Chemistry B 107 (49), 13703-13710, 2003
1942003
Computer simulation of small molecule permeation across a lipid bilayer: dependence on bilayer properties and solute volume, size, and cross-sectional area
D Bemporad, C Luttmann, JW Essex
Biophysical journal 87 (1), 1-13, 2004
1752004
Atomic charges for variable molecular conformations
CA Reynolds, JW Essex, WG Richards
Journal of the American Chemical Society 114 (23), 9075-9079, 1992
1671992
An analysis of the feasibility of short read sequencing
N Whiteford, N Haslam, G Weber, A Prügel-Bennett, JW Essex, PL Roach, ...
Nucleic acids research 33 (19), e171-e171, 2005
1552005
The ELBA force field for coarse-grain modeling of lipid membranes
M Orsi, JW Essex
PloS one 6 (12), e28637, 2011
1542011
A quantitative coarse-grain model for lipid bilayers
M Orsi, DY Haubertin, WE Sanderson, JW Essex
The Journal of Physical Chemistry B 112 (3), 802-815, 2008
1492008
Permeability of small molecules through a lipid bilayer: a multiscale simulation study
M Orsi, WE Sanderson, JW Essex
The Journal of Physical Chemistry B 113 (35), 12019-12029, 2009
1452009
Ensemble docking into multiple crystallographically derived protein structures: an evaluation based on the statistical analysis of enrichments
IR Craig, JW Essex, K Spiegel
Journal of chemical information and modeling 50 (4), 511-524, 2010
1362010
Behaviour of small solutes and large drugs in a lipid bilayer from computer simulations
D Bemporad, C Luttmann, JW Essex
Biochimica et Biophysica Acta (BBA)-Biomembranes 1718 (1-2), 1-21, 2005
1362005
Fluoride-selective binding in a new deep cavity calix [4] pyrrole: Experiment and theory
CJ Woods, S Camiolo, ME Light, SJ Coles, MB Hursthouse, MA King, ...
Journal of the American Chemical Society 124 (29), 8644-8652, 2002
1312002
Permeability of drugs and hormones through a lipid bilayer: insights from dual-resolution molecular dynamics
M Orsi, JW Essex
Soft Matter 6 (16), 3797-3808, 2010
1282010
Monte Carlo simulations for proteins: Binding affinities for trypsin− benzamidine complexes via free-energy perturbations
JW Essex, DL Severance, J Tirado-Rives, WL Jorgensen
The Journal of Physical Chemistry B 101 (46), 9663-9669, 1997
1171997
Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study
A Bortolato, BG Tehan, MS Bodnarchuk, JW Essex, JS Mason
Journal of chemical information and modeling 53 (7), 1700-1713, 2013
1072013
Anisotropic elastic network modeling of entire microtubules
MA Deriu, M Soncini, M Orsi, M Patel, JW Essex, FM Montevecchi, ...
Biophysical journal 99 (7), 2190-2199, 2010
1042010
Biomimetic synthesis of lantibiotics
S Burrage, T Raynham, G Williams, JW Essex, C Allen, M Cardno, V Swali, ...
Chemistry–A European Journal 6 (8), 1455-1466, 2000
1022000
FDS: flexible ligand and receptor docking with a continuum solvent model and soft‐core energy function
RD Taylor, PJ Jewsbury, JW Essex
Journal of computational chemistry 24 (13), 1637-1656, 2003
1012003
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Articles 1–20