Jonathan W. Essex, PhD
Affiliations: | School of Chemistry | University of Southampton, Southampton, England, United Kingdom |
Website:
http://www.soton.ac.uk/~chemphys/jessex/Google:
"Jonathan Essex"Mean distance: 8.08 | S | N | B | C | P |
Parents
Sign in to add mentor| W. Graham Richards | grad student | Oxford | |
| William L. Jorgensen | post-doc | Yale |
Children
Sign in to add trainee| Niall J. Haslam | grad student | University of Southampton (Computational Biology Tree) | |
| Richard H. Henchman | grad student | University of Southampton | |
| Julien Michel | grad student | 2002-2006 |
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Publications
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| Samways ML, Bruce Macdonald HE, Essex JW. (2020) grand: A Python Module for Grand Canonical Water Sampling in OpenMM. Journal of Chemical Information and Modeling |
| Senapathi T, Suruzhon M, Barnett CB, et al. (2020) BRIDGE: An Open Platform for Reproducible High-Throughput Free Energy Simulations. Journal of Chemical Information and Modeling |
| Suruzhon M, Senapathi T, Bodnarchuk MS, et al. (2020) ProtoCaller: Robust Automation of Binding Free Energy Calculations. Journal of Chemical Information and Modeling |
| Reid LM, Verma CS, Essex JW. (2019) The role of molecular simulations in understanding the mechanisms of cell-penetrating peptides. Drug Discovery Today |
| Longford FGJ, Essex JW, Skylaris CK, et al. (2018) Surface reconstruction amendment to the intrinsic sampling method. The Journal of Chemical Physics. 149: 234705 |
| Bruce Macdonald HE, Cave-Ayland C, Ross GA, et al. (2018) Ligand Binding Free Energies with Adaptive Water Networks: Two-Dimensional Grand Canonical Alchemical Perturbations. Journal of Chemical Theory and Computation |
| Saunders GM, Bruce Macdonald HE, Essex JW, et al. (2018) Prediction of the Closed Conformation and Insights into the Mechanism of the Membrane Enzyme LpxR. Biophysical Journal |
| Longford FGJ, Essex JW, Skylaris CK, et al. (2018) Unexpected finite size effects in interfacial systems: Why bigger is not always better-Increase in uncertainty of surface tension with bulk phase width. The Journal of Chemical Physics. 148: 214704 |
| Wheeler S, Samways M, Essex J. (2018) Determining the Bending Moduli of Asymmetric Bilayers by Simulation Biophysical Journal. 114: 562a |
| Huggins DJ, Biggin PC, Dämgen MA, et al. (2018) Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity Wiley Interdisciplinary Reviews: Computational Molecular Science. 9: e1393 |