Leach Research Group

January 2022 - After a pandemic sized gap, finally back to editing and updating the webpage. Lots of exciting things happened since the last posting including being joined by new PhD student Emily Sampey who will be investigating phosphatase enzymes. Look out for a new PhD being advertised soon as part of our project to improve cardiac safety prediction tools.

November 2019 - Our latest publication on racemisation with the Buurma group has been published and we reveal how scant is our understanding of racemisation in biological media.

November 2019 - Our latest publication with the Lloyd-Jones group (along with the Thomas group, also in Edinburgh) concerning a reaction with a fascinating intermediate has been published

October 2019 - Andrew has moved to the University of Manchester

January 2019 - Michele Assante has joined us to undertake his PhD developing new methods to understand reactions in solution

August 2018 - we are advertising for a new PhD student - a great opportunity to work collaboratively with AstraZeneca to develop new methods to understand reactions in solution.

August 2018 - Our latest work in collaboration with the Lloyd-Jones group has been published

July 2018 - Our studies of a catalytic reaction in collaboration with Allan Watson have been published

July 2018 - Joanna has graduated - congratulations to our latest PhD!

June 2018 - Andrew was a runner-up in the Vice-Chancellor's Prize for Excellence in Research and Scholarship

April 2018 - The first of many publications with the Fossey group at Birmingham describes the catalysis provided by copper complexed with interesting rigid azetidine ligands.

April 2018 - More publishing success from the matched molecular pairs collaboration with MedChemica.

March 2018 - Yamir has successfully completed his first year report and viva.

February 2018 - Joanna has submitted her thesis.

January 2018 - The latest in our series of papers investigating interactions between drugs and pulmonary monolayers has been published.

​October 2017 - Our research in the area of racemisation has been published in Angewandte Chemie.  This is a remarkable collaborative effort between physical and computational chemists working in academia and industry and highlights an under appreciated problem.

October 2017 - Our latest research in the matched molecular pairs area has been published in JCIM.

July 2017 - the group's latest contribution on the topic of matched molecular pair analysis is published as a book chapter in the Comprehensive Medicinal Chemistry series, volume III.

June 2017 ​- Dilanka Jayawardena Ratnayake has joined the group for her MSc project work and will be researching the ability of computational methods to distinguish routes of metabolism.

April 2017 - Joanna presented a talk describing her work validating the use of shape fingerprints for analysing biological activity at the UKQSAR group meeting at Syngenta's Zealot's Hill site.

April 2017  - Joanna presented a talk and a poster describing her work on shape fingerprints and multipoles at the American Chemical Society national meeting in San Francisco.

Feb​ruary 2017 - Iva successfully defended her thesis and is now well on the way to becoming Dr Lukac!

January 2017 - Joanna will be presenting a talk and a poster describing her research concerning shape fingerprints and shape multipoles at the American Chemical Society national meeting in San Francisco in April.

December 2016 - Joanna presented a talk at the Young Modellers Forum in Greenwich.

October 2016 - Joanna will be presenting a poster describing her latest findings about molecular shape at the next UKQSAR meeting at the ICR, Sutton in October.

May 2016 - Joanna will be presenting a talk describing her research on molecular shape at the Eurocup OpenEye users' meeting in June.

May 2016 - Andrew will be presenting a talk about molecular shape at the Sheffield chemoinformatics meeting in July.

May 2016 - Nick Lewis has joined the group for his MSc project work and will be researching the link between molecular shape and CNS activity.

March, 2016 - Iva was selected as one of the winners of the ACS CINF section Scholarship for Scientific Excellence. This was for her poster about matched molecular pairs.

March, 2016 - Iva is presenting two posters and a talk at the American Chemical Society National Meeting in San Diego, California.  She is presenting a poster on her matched pairs work and her experimental studies and giving a talk about theoceptors for Lactate Dehydrogenase A.

January, 2016 - Georgia Lane, Stephen Messham and Nasser Alyami three LJMU Pharmacy students have joined the group to undertake their final year research projects. They will be investigating drug-drug interactions using docking, the influence of shape on solubility and melting point and inhibitors of DAAO.

November, 2015 - Joanna will be presenting a poster about her work on Shape Fingerprints and Iva will be giving a talk about her work on Thermodynamics of Binding and Theoceptors at this year's YMF meeting at the Old Naval College in Greenwich


October, 2015 - Simon Barlow, one of LJMU's ACAPS students has joined the group for his final year project and will be investigating QM approaches to understanding structure-kinetics relationships

October, 2015 - the group's latest paper (at Med Chem Comm) describes the reaction of some chlorothiazoles with glutathione

July, 2015 - the group's new blog has been started - look out for thrilling science and comment

July, 2015 - Iva's first paper with the group has been published in Molecular Informatics: 

June 2015 - Iva will be presenting her PhD research at the European School of Medicinal Chemistry in Urbino, Italy for which she received a fellowship from the European Federation for Medicinal Chemistry

June, 2015 - Iva will be presenting her findings about the thermodynamics and kinetics of protein-ligand interactions at Biophysics in Drug Discovery in Strasbourg, France

May, 2015- Joanna will be presenting her poster "The Analysis and Validation of Shape Fingerprints" ​ at OpenEye EuroCUP VIII  in Darmstadt, Germany

May, 2015- Iva will be presenting her poster "Matched molecular pairs-big data for medicinal chemistry? "  ​at the Innovation Awards event taking place at the "Policy-making in the Big Data Era: Opportunities and Challenges" conference at the University of Cambridge

February, 2015- ​Andrew's latest article on protodeboronation of neat boronic acids has been published in Organic and Biomolecular Chemistry