个人简介

I gained my Ph.D. (supervisor Prof. Peter Murray-Rust) in X-ray Crystallography, computational chemistry and Organic Synthesis from the University of Stirling. One of the highlights was the first co-crystallisation of a reactant and product of a chemical reaction in a single crystal. At the Wellcome Foundation I guided the development of the Computer-aided Molecular Design group. This included Protein Crystallography, Molecular Transport properties and Electrochemistry. I designed the GASP and GOLD computer programs (a BBSRC funded grant, which has over 4000 citations) which are used extensively in the pharmaceutical industry, I am a co-inventor of Zomig (a drug for migraine with ca. $6B in sales) and invented two other compounds that have entered Phase-2 clinical development. I then became Vice President for Collaborative Research at Tripos Inc., a biotechnology company in St. Louis Mo. I assisted in setting up three biotechnology companies (Arena Pharmaceuticals, Phase-1 Molecular Toxicology and Signase). I obtained and directed a significant BBSRC grant of with University College London (discovering activators of soluble guanylate cyclise and working with The Technology Partnership to develop the Baseplate robot) and managed collaborative research and contract research in drug discovery with many large Pharmaceutical companies. Two of the research programs have compounds in early stage studies in Obesity and Artherosclerosis. In 1999 I moved to the University of Cambridge as Director of the Unilever Centre for Molecular Sciences Informatics, a new institute as part of the Chemistry department, which I have built to over fifty research scientists. I have published over 150 papers, have numerous patents and am regularly invited to present plenary and other invited lectures. I have a number of compounds currently in human clinical studdies in Addenbrokes. I have served as deputy chairman of Lhasa Ltd., on the Science Advisory Board of a number of biotechnology companies and international academic advisory and grant awarding bodies (Netherlands Genomics Initiative, NIH Roadmap), on the editorial board of Journal of Chemical Information and Modelling and the Encyclopaedia of Computational Chemistry, a fellow of the Royal Society of Chemistry and a member of the publication board and chair of the IT committee, an honorary fellow of the American Association for Cancer Research and a Fellow of Clare College Cambridge. I have been a consultant to Pfizer, Teva, IDBS, Tripos, Unilever, AstraZeneca, Boehringer Ingelheim, Lhasa Ltd. Inpharmatica, Tripos, Pharmacia, Arrow Therapeutics. I have additionally received over £10M in grants over the last ten years, from EPSRC, BBSRC, DTI, MRC and Pharmaceutical and software companies.

研究领域

Theoretical/Biological

I am Professor of Molecular Sciences Informatics and Director of The Centre for Molecular Informatics. The Unilever Centre for Molecular Informatics (Now the Centre for Molecular Informatics) was established in 1999 as part of the Department of Chemistry to exploit the enormous growth in the availability of scientific data. We are generating and assimilating data from sources world-wide to create new ways of linking and analyzing data to extract knowledge that can lead to a deeper understanding of molecules and their properties. The aim of our research is to devise new methods of creating, searching, manipulating and storing molecular data such that scientists can devise experiments ‘in-silico’ which can be tested both in the computer and in the lab. The Centre undertakes research projects that span Academic and Industrial Research. The research is hypothesis driven and aimed at collaborative approaches to problem solving with other academic groups, institutes and industrial research groups.This leads to multidisciplinary approaches that exploit molecular data to generate new insights into the properties of molecules and materials. Molecular Informatics covers the whole gamut of scientific information, and this is reflected in the wide range of projects that are undertaken. Three areas are of particular interest: proteins and ligands, molecular data and chemical tools. There is a strong interest in the development of novel molecular property calculations and data analysis methods combined with the simulation of biomolecules and materials. Current research interests include drug discovery methods (SAR, simulation of biomolecules and ADME) and molecular data analysis (complexity analysis, new kernel-based data classifiers) as well as drug discovery projects against specific targets.

近期论文

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Design, Characterization, and First-In-Human Study of the Vascular Actions of a Novel Biased Apelin Receptor Agonist. AL Brame, JJ Maguire, P Yang, A Dyson, R Torella, J Cheriyan, M Singer, RC Glen, IB Wilkinson, AP Davenport – Hypertension (2015) (DOI: 10.1161/HYPERTENSIONAHA.114.05099) Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts. S Liggi, G Drakakis, A Koutsoukas, I Cortes-Ciriano, P Martínez-Alonso, TE Malliavin, A Velazquez-Campoy, SC Brewerton, MJ Bodkin, DA Evans, RC Glen, JA Carrodeguas, A Bender – Future Med Chem (2014) 6, 2029 (DOI: 10.4155/fmc.14.137) Target Fishing: A Single-Label or Multi-Label Problem? AM Afzal, HY Mussa, RE Turner, A Bender, RC Glen – (2014) A combination of computational and experimental approaches identifies DNA sequence constraints associated with target site binding specificity of the transcription factor CSL. R Torella, J Li, E Kinrade, G Cerda-Moya, AN Contreras, R Foy, R Stojnic, RC Glen, RA Kovall, B Adryan, SJ Bray – Nucleic acids research (2014) 42, 10550 (DOI: 10.1093/nar/gku730) Erratum for "In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naı̈ve Bayes and Parzen-Rosenblatt Window". A Koutsoukas, R Lowe, Y KalantarMotamedi, HY Mussa, W Klaffke, JB Mitchell, RC Glen, A Bender – J Chem Inf Model (2014) 54, 2180 (DOI: 10.1021/ci500255v) Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers. JD Tyzack, HY Mussa, MJ Williamson, J Kirchmair, RC Glen – Journal of Cheminformatics (2014) 6, 29 (DOI: 10.1186/1758-2946-6-29) Investigating and predicting how biology changes molecules and their properties JD Tyzack, RC Glen – Molecular Informatics (2014) 33, 443 (DOI: 10.1002/minf.201400031) How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space A Koutsoukas, S Paricharak, WR Galloway, DR Spring, AP Ijzerman, RC Glen, D Marcus, A Bender – J Chem Inf Model (2014) 54, 230 (DOI: 10.1021/ci400469u) FAst MEtabolizer (FAME): A rapid and accurate predictor of sites of metabolism in multiple species by endogenous enzymes J Kirchmair, MJ Williamson, AM Afzal, JD Tyzack, AP Choy, A Howlett, P Rydberg, RC Glen – J Chem Inf Model (2013) 53, 2896 (DOI: 10.1021/ci400503s) Adventures in drug discovery: For now we see through a glass, darkly RC Glen – ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (2013) 246 OPSIN: Taming the jungle of IUPAC chemical nomenclature DM Lowe, P Murray-Rust, RC Glen – ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (2013) 246 Full "Laplacianised" posterior naive Bayesian algorithm. HY Mussa, JB Mitchell, RC Glen – Journal of Cheminformatics (2013) 5, 37 (DOI: 10.1186/1758-2946-5-37) In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naive Bayes and Parzen-Rosenblatt Window A Koutsoukas, R Lowe, Y Kalantarmotamedi, HY Mussa, W Klaffke, JB Mitchell, RC Glen, A Bender – J Chem Inf Model (2013) 53, 1957 (DOI: 10.1021/ci300435j) Prediction of cytochrome P450 xenobiotic metabolism: tethered docking and reactivity derived from ligand molecular orbital analysis. JD Tyzack, MJ Williamson, R Torella, RC Glen – J Chem Inf Model (2013) 53, 1294 (DOI: 10.1021/ci400058s) Diversity Selection of Compounds Based on ‘Protein Affinity Fingerprints’ Improves Sampling of Bioactive Chemical Space HP Nguyen, A Koutsoukas, F Mohd Fauzi, G Drakakis, M Maciejewski, RC Glen, A Bender – Chem Biol Drug Des (2013) 82, 252 (DOI: 10.1111/cbdd.12155) Chemogenomics approaches to rationalizing the mode-of-action of traditional Chinese and Ayurvedic medicines. F Mohd Fauzi, A Koutsoukas, R Lowe, K Joshi, TP Fan, RC Glen, A Bender – J Chem Inf Model (2013) 53, 661 (DOI: 10.1021/ci3005513) How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted? J Kirchmair, A Howlett, JE Peironcely, DS Murrell, MJ Williamson, SE Adams, T Hankemeier, L van Buren, G Duchateau, W Klaffke, RC Glen – J Chem Inf Model (2013) 53, 354 (DOI: 10.1021/ci300487z) Experimental validation of in silico target predictions on synergistic protein targets I Cortes-Ciriano, A Koutsoukas, O Abian, RC Glen, A Velazquez-Campoy, A Bender – MedChemComm (2013) 4, 278 (DOI: 10.1039/c2md20286g) Full "laplacianised" posterior naive Bayesian algorithm HY Mussa, JBO Mitchell, RC Glen – Journal of Cheminformatics (2013) 5 (DOI: 10.1186/1758-2946-5-37) Linking Ayurveda and Western medicine by integrative analysis. FM Fauzi, A Koutsoukas, R Lowe, K Joshi, TP Fan, RC Glen, A Bender – Journal of Ayurveda and integrative medicine (2013) 4, 117 (DOI: 10.4103/0975-9476.113882)