Behaviour of small solutes and large drugs in a lipid bilayer from computer simulations von Bemporad, D., Luttmann, C., Essex, J.W.

Volltext

Computer Simulation of Small Molecule Permeation across a Lipid Bilayer: Dependence on Bilayer Properties and Solute Volume, Size, and Cross-Sectional Area von Bemporad, D., Luttmann, C., Essex, J.W.

Volltext

A review of protein-small molecule docking methods von Taylor, R D, Jewsbury, P J, Essex, J W

Volltext

Bringing Chemical Data onto the Semantic Web von Taylor, K. R, Gledhill, R. J, Essex, J. W, Frey, J. G, Harris, S. W, De Roure, D. C

Volltext

Binding Constants of Neuraminidase Inhibitors:  An Investigation of the Linear Interaction Energy Method von Wall, Ian D, Leach, Andrew R, Salt, David W, Ford, Martyn G, Essex, Jonathan W

Volltext

Prediction of Properties from Simulations:  A Re-examination with Modern Statistical Methods von Mansson, R. A, Frey, J. G, Essex, J. W, Welsh, A. H

Volltext

Molecular Dynamics Simulation of a Hydrated Phospholipid Bilayer von Essex, Jonathan W., Hann, Michael M., Richards, W. Graham

Volltext

The configurational dependence of binding free energies: a Poisson-Boltzmann study of Neuraminidase inhibitors von Woods, C J, King, M A, Essex, J W

Volltext

Protein-Ligand Binding Affinity Predictions by Implicit Solvent Simulations:  A Tool for Lead Optimization? von Michel, Julien, Verdonk, Marcel L, Essex, Jonathan W

Volltext

Atomic charges for variable molecular conformations von Reynolds, Christopher A, Essex, Jonathan W, Richards, W. Graham

Volltext

Permeation of Small Molecules through a Lipid Bilayer:  A Computer Simulation Study von Bemporad, Daniele, Essex, Jonathan W, Luttmann, Claude

Volltext

Molecular dynamics of mouse and Syrian hamster PrP: Implications for activity von Parchment, Oswald G., Essex, Jonathan W.

Volltext

The Development of Replica-Exchange-Based Free-Energy Methods von Woods, Christopher J, Essex, Jonathan W, King, Michael A

Volltext

Molecular Self-Assembly on Surfaces of Organic Conducting Salts:  Epitaxial Monolayer Films of Naphthalene on the (001) Surface of (TMTSF)2PF6 von Bartlett, P. N, Essex, J. W, Koo, H.-J, Nandhakumar, I. S, Robertson, N, Whangbo, M.-H

Volltext

Theoretical determination of partition coefficients von Essex, Jonathan W, Reynolds, Christopher A, Richards, W. Graham

Volltext

A Semantic Datagrid for Combinatorial Chemistry von Taylor, K., Gledhill, R., Essex, J. W., Frey, J. G., Harris, S. W., De Roure, D.

Volltext

Fluoride-Selective Binding in a New Deep Cavity Calix[4]pyrrole:  Experiment and Theory von Woods, Christopher J, Camiolo, Salvatore, Light, Mark E, Coles, Simon J, Hursthouse, Michael B, King, Michael A, Gale, Philip A, Essex, Jonathan W

Volltext

FDS: Flexible ligand and receptor docking with a continuum solvent model and soft-core energy function von Taylor, Richard D., Jewsbury, Philip J., Essex, Jonathan W.

Volltext

An analysis of the feasibility of short read sequencing von Whiteford, Nava, Haslam, Niall, Weber, Gerald, Prügel-Bennett, Adam, Essex, Jonathan W., Roach, Peter L., Bradley, Mark, Neylon, Cameron

Volltext

Enhanced Configurational Sampling in Binding Free-Energy Calculations von Woods, Christopher J, Essex, Jonathan W, King, Michael A

Volltext