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Data-Driven Drug Discovery and Molecular Informatics

Morgan Thomas

I joined Dr.Andreas Bender's group in October 2019 after conducting a 2-year R&D graduate programme with AstraZeneca, including 8-month rotations in Analytical & Structural Chemistry, Computational Chemistry and Bioinformatics. Prior to my industrial experience, I studied an MChem in Pharmaceutical Chemistry at the University of Leicester (year in industry: Cambridge Research Biochemicals), graduating in 2017.

I'm interested in all aspects of the drug discovery pipeline, generally how we can use or collect data in conjunction with artificial intelligence to improve discovery efficiency or gain new insights contributing to our collective knowledge base. More specifically, reducing the cycle time of small molecule design by better utilization of available data. My PhD project is focused on both the interrogation and integration of artificial intelligence technological advancements, such as deep generative models to improve small molecule design of GPCR therapeutics in collaboration with Sosei Heptares.

 

Publications

Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study.
M Thomas, RT Smith, NM O'Boyle, C de Graaf, A Bender
– Journal of cheminformatics
(2021)
13,
39
(doi: 10.1186/s13321-021-00516-0)
Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models: A GPCR Case Study
M Thomas, R Smith, NM O’Boyle, CD Graaf, A Bender
(2021)
(doi: 10.26434/chemrxiv.14138147.v1)
Diversity-orientated synthesis of macrocyclic heterocycles using a double S N Ar approach
P Raubo, RJ Carbajo, W McCoull, J Raubo, M Thomas
– Organic & Biomolecular Chemistry
(2021)
19,
6274
(doi: 10.1039/d1ob00612f)
Discovery of a heme-binding domain in a neuronal voltage-gated potassium channel
MJ Burton, J Cresser-Brown, M Thomas, N Portolano, J Basran, SL Freeman, H Kwon, AR Bottrill, MJ Llansola-Portoles, AA Pascal, R Jukes-Jones, T Chernova, R Schmid, NW Davies, NM Storey, P Dorlet, PCE Moody, JS Mitcheson, EL Raven
– Journal of Biological Chemistry
(2020)
295,
13277
(doi: 10.1074/jbc.ra120.014150)
Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors
K McAulay, EA Hoyt, M Thomas, M Schimpl, MS Bodnarchuk, HJ Lewis, D Barratt, D Bhavsar, DM Robinson, MJ Deery, DJ Ogg, GJL Bernardes, RA Ward, MJ Waring, JG Kettle
– Journal of the American Chemical Society
(2020)
142,
10358
(doi: 10.1021/jacs.9b13391)
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College

Corpus Christi College

Study at Cambridge

About the University

Research at Cambridge