World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
57
Citations
9797
World Ranking
11296
National Ranking
637

Research.com Recognitions

  • 2002 - Marlow Award, Royal Society of Chemistry (UK)

Overview

Jonathan W. Essex is affiliated with the University of Southampton in the United Kingdom. Their research predominantly focuses on Biochemistry, Genetics, and Molecular Biology, contributing to a total of 60 publications in this field. Within this broad area, Essex has worked extensively in subfields such as Molecular Biology, Materials Chemistry, Atomic and Molecular Physics and Optics, Immunology, and Spectroscopy.

Their scientific investigations center around key topics including Protein Structure and Dynamics, Enzyme Structure and Function, Monoclonal and Polyclonal Antibodies Research, Machine Learning in Materials Science, Lipid Membrane Structure and Behavior, Spectroscopy and Quantum Chemical Studies, and Computational Drug Discovery Methods.

Jonathan W. Essex has published research in several frequent venues. These include:

  • Journal of Chemical Information and Modeling
  • Journal of Chemical Theory and Computation
  • bioRxiv (Cold Spring Harbor Laboratory)
  • Zenodo (CERN European Organization for Nuclear Research)
  • The Journal of Chemical Physics

Significant recent publications illustrate the scope of their research interests. Selected papers include:

  • Computational Methods and Tools in Antimicrobial Peptide Research, 2021, Journal of Chemical Information and Modeling
  • Reducing affinity as a strategy to boost immunomodulatory antibody agonism, 2023, Nature
  • Water molecules at protein-drug interfaces: computational prediction and analysis methods, 2021, Chemical Society Reviews
  • The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?, 2020, Journal of Chemical Information and Modeling
  • Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility, 2022, Science Immunology

Collaborations have been an important aspect of their career. Frequent co-authors include Marley L. Samways, Chris-Kriton Skylaris, Miroslav Suruzhon, Syma Khalid, and Ian D. Wall, with the number of joint publications ranging from five to eleven.

Jonathan W. Essex was awarded the Marlow Award from the Royal Society of Chemistry (UK) in 2002. This award acknowledges contributions within the scientific community and underlines their standing in the field.

Best Publications

  • A review of protein-small molecule docking methods

    Richard D. Taylor;Philip J. Jewsbury;Jonathan W. Essex

  • Permeation of small molecules through a lipid bilayer: a computer simulation study

    Daniele Bemporad and;Jonathan W. Essex;Claude Luttmann

  • Classification of Water Molecules in Protein Binding Sites

    Caterina Barillari;Justine Taylor;Russell Viner;Jonathan W Essex

  • Prediction of protein–ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations

    Julien Michel;Jonathan W. Essex

  • The development of replica-exchange-based free-energy methods

    Christopher J. Woods;Jonathan W. Essex;Michael A. King

  • The ELBA force field for coarse-grain modeling of lipid membranes.

    Mario Orsi;Jonathan W. Essex

  • Permeability of small molecules through a lipid bilayer: a multiscale simulation study

    Mario Orsi;Wendy E. Sanderson;Jonathan W. Essex

  • 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;J.W. Essex

  • Atomic charges for variable molecular conformations

    Christopher A. Reynolds;Jonathan W. Essex;W. Graham Richards

  • Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity

    David J. Huggins;David J. Huggins;Philip C. Biggin;Marc A. Dämgen;Jonathan W. Essex

  • Permeability of drugs and hormones through a lipid bilayer: insights from dual-resolution molecular dynamics†

    Mario Orsi;Jonathan W. Essex

  • An analysis of the feasibility of short read sequencing

    Nava Whiteford;Niall Haslam;Gerald Weber;Adam Prügel-Bennett

  • A quantitative coarse-grain model for lipid bilayers.

    Mario Orsi;David Y. Haubertin;Wendy E. Sanderson;Jonathan W. Essex

  • Ensemble Docking into Multiple Crystallographically Derived Protein Structures: An Evaluation Based on the Statistical Analysis of Enrichments

    Ian R. Craig;Jonathan W. Essex;Katrin Spiegel

  • On the Calculation of Acyl Chain Order Parameters from Lipid Simulations

    Thomas J Piggot;Jane Rosemary Allison;Richard B. Sessions;Jonathan W. Essex

  • Behaviour of small solutes and large drugs in a lipid bilayer from computer simulations.

    D. Bemporad;C. Luttmann;J.W. Essex

  • Fluoride-Selective Binding in a New Deep Cavity Calix[4]pyrrole: Experiment and Theory

    Christopher J. Woods;Salvatore Camiolo;Mark E. Light;Simon J. Coles

  • Water sites, networks, and free energies with grand canonical Monte Carlo

    Gregory A. Ross;Michael S. Bodnarchuk;Jonathan W. Essex

  • Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study

    Andrea Bortolato;Benjamin G. Tehan;Michael S. Bodnarchuk;Jonathan W. Essex

  • Monte Carlo Simulations for Proteins: Binding Affinities for Trypsin−Benzamidine Complexes via Free-Energy Perturbations

    Jonathan W. Essex;Daniel L. Severance;Julian Tirado-Rives;William L. Jorgensen

  • Anisotropic Elastic Network Modeling of Entire Microtubules

    Marco Agostino Deriu;Monica Soncini;M. Orsi;M. Patel

Frequent Co-Authors

Mark S.P. Sansom
Mark S.P. Sansom University of Oxford
Chris-Kriton Skylaris
Chris-Kriton Skylaris University of Southampton
William L. Jorgensen
William L. Jorgensen Yale University
Mark Bradley
Mark Bradley University of Edinburgh
Chandra S. Verma
Chandra S. Verma Agency for Science, Technology and Research
Adam Prügel-Bennett
Adam Prügel-Bennett University of Southampton
David De Roure
David De Roure University of Oxford
Julian Tirado-Rives
Julian Tirado-Rives Yale University
Alan H. Welsh
Alan H. Welsh Australian National University
Tim Elliott
Tim Elliott University of Southampton

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Related Online Degrees & Career Pathways

Studying Chemistry in the USA opens doors to diverse career pathways, especially in forensic science and related fields. For those interested in combining chemical knowledge with law enforcement, pursuing a forensic degree online can provide valuable skills. These programs focus on applying chemical techniques to crime scene analysis and evidence testing, preparing graduates for specialized roles.

Beyond undergraduate degrees, many professionals advance their expertise through a masters in forensic psychology online. This path emphasizes the psychological aspects behind criminal behavior, complementing the scientific rigor of chemistry and forensic science careers.

One notable role in the forensic field is an autopsy tech, which involves assisting medical examiners with postmortem examinations. Understanding chemical and biological processes is crucial in this hands-on career, highlighting the practical application of chemistry knowledge.

Overall, chemistry graduates can explore various forensic career paths, ranging from lab analysis to crime scene investigation. Combining chemistry with forensic sciences creates strong career prospects that are both challenging and rewarding.

Best Scientists Citing Jonathan W. Essex

Trending Scientists